Tbxas1

Reference Set (154 Compounds)

O=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000027561594

ZINC000027561594 (search)

O=C1c2ccccc2C(=O)N1CCCCCCCCCCn1ccnc1 ZINC000027899625

ZINC000027899625 (search)

O=C(O)c1ccc(OCCn2ccnc2)cc1 ZINC000169365016

ZINC000169365016 (search)

O=C1c2ccccc2C(=O)N1CCCCCCCCn1ccnc1 ZINC000027894342

ZINC000027894342 (search)

O=C(O)c1ccc2c(c1)OCc1ccccc1[C@@H]2SCCNS(=O)(=O)c1ccccc1 ZINC000013726971

ZINC000013726971 (search)

O=C1c2ccc(Cl)c(Cl)c2C(=O)N1CCCn1ccnc1 ZINC000027903144

ZINC000027903144 (search)

CSc1ccc(C(=O)NCCCn2ccnc2)cc1 ZINC000027563308

ZINC000027563308 (search)

O=C(NCCCn1ccnc1)c1ccc(I)cc1 ZINC000012546492

ZINC000012546492 (search)

O=C1c2cccc(Br)c2C(=O)N1CCCCCn1ccnc1 ZINC000027895541

ZINC000027895541 (search)

O=C(NCCCCCn1ccnc1)c1ccc(C(F)(F)F)cc1 ZINC000027562499

ZINC000027562499 (search)

O=C(NCCCCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000027562496

ZINC000027562496 (search)

O=C(NCCS[C@@H]1c2ccccc2COc2ccc(C(=O)O)cc21)Nc1ccccc1 ZINC000013727024

ZINC000013727024 (search)

COc1cccc(OC)c1C(=O)NCCS[C@@H]1c2ccccc2COc2ccc(C(=O)O)cc21 ZINC000013727000

ZINC000013727000 (search)

O=C1c2cccc(Br)c2C(=O)N1CCCCn1ccnc1 ZINC000027896467

ZINC000027896467 (search)

O=C(O)c1ccc2c(c1)[C@H](SCCNS(=O)(=O)c1cccnc1)c1ccccc1CO2 ZINC000013726960

ZINC000013726960 (search)

O=C1c2ccccc2C(=O)N1CCCCCCn1ccnc1 ZINC000027884346

ZINC000027884346 (search)

O=C1c2ccccc2C(=O)N1CCCCn1ccnc1 ZINC000027898231

ZINC000027898231 (search)

Cc1cccc2c1C(=O)N(CCCCn1ccnc1)C2=O ZINC000027898855

ZINC000027898855 (search)

CN(CCS[C@@H]1c2ccccc2COc2ccc(C(=O)O)cc21)S(=O)(=O)c1ccccc1 ZINC000013726965

ZINC000013726965 (search)

O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)c1ccccc1)c1ccccc1CO2 ZINC000002001643

ZINC000002001643 (search)

O=C(O)c1ccc2c(c1)[C@@H](SCCNS(=O)(=O)/C=C/c1ccccc1)c1ccccc1CO2 ZINC000002022175

ZINC000002022175 (search)

O=C(NCCCn1ccnc1)c1cccc(C(F)(F)F)c1 ZINC000013745251

ZINC000013745251 (search)

Cc1cccc2c1C(=O)N(CCCn1ccnc1)C2=O ZINC000027903102

ZINC000027903102 (search)

O=C1c2ccccc2C(=O)N1CCCn1ccnc1 ZINC000004810567

ZINC000004810567 (search)

O=C(NCCCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000027562505

ZINC000027562505 (search)

O=C(NCCCCn1ccnc1)c1ccc(Cl)cc1 ZINC000027564702

ZINC000027564702 (search)

O=C1c2ccccc2C(=O)N1CCCCCn1ccnc1 ZINC000027903387

ZINC000027903387 (search)

Cc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 ZINC000026838418

ZINC000026838418 (search)

O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCn1ccnc1 ZINC000026377037

ZINC000026377037 (search)

O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCn1ccnc1 ZINC000026380885

ZINC000026380885 (search)

Cc1ccc2[nH]c(=O)n(C[C@@H](C)Cn3ccnc3)c(=O)c2c1 ZINC000026377060

ZINC000026377060 (search)

C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O ZINC000026381442

ZINC000026381442 (search)

O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCn1ccnc1 ZINC000026380888

ZINC000026380888 (search)

O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCCCCCCn1ccnc1 ZINC000026377234

ZINC000026377234 (search)

C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2ccc(Cl)cc2c1=O ZINC000026376833

ZINC000026376833 (search)

O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCn1ccnc1 ZINC000026382817

ZINC000026382817 (search)

C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2c(Cl)cccc2c1=O ZINC000026378112

ZINC000026378112 (search)

O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCCn1ccnc1 ZINC000026388784

ZINC000026388784 (search)

O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCn1ccnc1 ZINC000026380890

ZINC000026380890 (search)

O=C(O)CCCCO/N=C(/c1ccccc1)[C@H](Cc1ccccc1)n1ccnc1 ZINC000003923483

ZINC000003923483 (search)

Cc1ccc2[nH]c(=O)n(CCCn3ccnc3)c(=O)c2c1 ZINC000026380492

ZINC000026380492 (search)

O=C(O)CCCCO/N=C(/c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000001536934

ZINC000001536934 (search)

O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCn1ccnc1 ZINC000026377579

ZINC000026377579 (search)

C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2ccccc2c1=O ZINC000026380190

ZINC000026380190 (search)

Cc1ccc2[nH]c(=O)n(CCCCCn3ccnc3)c(=O)c2c1 ZINC000026383144

ZINC000026383144 (search)

$O=C(O)CCCCO/N=C(\Cn1ccnc1)C1CCCCC1 ZINC000003923481$

ZINC000003923481 (search)

CCCCCC/C(Cn1ccnc1)=N/OCCCCC(=O)O ZINC000013738887

ZINC000013738887 (search)

O=C(NCCCCn1ccnc1)c1cc2ccccc2[nH]1 ZINC000025989966

ZINC000025989966 (search)

O=c1[nH]c2c(Cl)cccc2c(=O)n1CCCCCn1ccnc1 ZINC000026377576

ZINC000026377576 (search)

O=c1[nH]c2ccccc2c(=O)n1CCCCCCn1ccnc1 ZINC000026378779

ZINC000026378779 (search)

O=c1c2cc(Cl)ccc2ncn1CCCCCCCCn1ccnc1 ZINC000026381219

ZINC000026381219 (search)

$O=C(O)CCCCO/N=C(\c1ccccc1)[C@H](Cc1ccccc1)n1ccnc1 ZINC000006142469$

ZINC000006142469 (search)

$CCCCCC/C(=N\OCCCCC(=O)O)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000013738900$

ZINC000013738900 (search)

Cc1ccc2[nH]c(=O)n(CCCCn3ccnc3)c(=O)c2c1 ZINC000026380432

ZINC000026380432 (search)

O=c1[nH]c2c(C(F)(F)F)cccc2c(=O)n1CCCCn1ccnc1 ZINC000026382825

ZINC000026382825 (search)

O=c1c2ccccc2nnn1CCCCCCn1ccnc1 ZINC000026389366

ZINC000026389366 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccccc1)n1ccnc1 ZINC000003922687$

ZINC000003922687 (search)

O=C(O)CCCCO/N=C(/c1ccccc1)[C@@H](Cc1ccc(F)cc1)n1ccnc1 ZINC000013738906

ZINC000013738906 (search)

Cc1ccc2nnn(CCCCn3ccnc3)c(=O)c2c1 ZINC000026377872

ZINC000026377872 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1cnccn1)n1ccnc1 ZINC000003916824$

ZINC000003916824 (search)

O=C(NCCCCCCCCn1ccnc1)c1ccc(Cl)s1 ZINC000025991416

ZINC000025991416 (search)

Cc1ccc2[nH]c(=O)n(CC[C@H](C)n3ccnc3)c(=O)c2c1 ZINC000026380564

ZINC000026380564 (search)

CNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 ZINC000000005569

ZINC000000005569 (search)

CCCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 ZINC000026838421

ZINC000026838421 (search)

C[C@@H](CNC(=O)c1cc(Cl)ccc1N)Cn1ccnc1 ZINC000026376517

ZINC000026376517 (search)

C[C@@H](Cn1ccnc1)Cn1cnc2ccc(Cl)cc2c1=O ZINC000026380197

ZINC000026380197 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccco1)n1ccnc1 ZINC000003916825$

ZINC000003916825 (search)

CCNc1nc2c(Cc3cccnc3)c(C)c(O)c(C)c2s1 ZINC000013738520

ZINC000013738520 (search)

O=C(O)CCCCO/N=C(/C1CCCCC1)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000013738898

ZINC000013738898 (search)

CNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 ZINC000026829053

ZINC000026829053 (search)

O=c1[nH]c2ccc(Br)cc2c(=O)n1CCCn1ccnc1 ZINC000026376929

ZINC000026376929 (search)

COc1c(O)c(C)c2sc(N)nc2c1Cc1cccnc1 ZINC000026828762

ZINC000026828762 (search)

Cc1ccc(C[C@@H](/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 ZINC000003931776

ZINC000003931776 (search)

C[C@@H](CCn1c(=O)[nH]c2ccc(Cl)cc2c1=O)n1ccnc1 ZINC000026382615

ZINC000026382615 (search)

$C[C@@H](/C(=N\OCCCCC(=O)O)c1ccccc1)n1ccnc1 ZINC000013738890$

ZINC000013738890 (search)

$O=C(O)CCCCO/N=C(\Cn1ccnc1)c1ccccc1 ZINC000013738880$

ZINC000013738880 (search)

CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 ZINC000000597414

ZINC000000597414 (search)

Cc1ccc(N)c(C(=O)NCC[C@H](C)n2ccnc2)c1 ZINC000026390671

ZINC000026390671 (search)

CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(N)sc12 ZINC000026829078

ZINC000026829078 (search)

O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCn1ccnc1 ZINC000026377058

ZINC000026377058 (search)

$C/C(=N\OCCCCC(=O)O)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000013738902$

ZINC000013738902 (search)

O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1 ZINC000000005389

ZINC000000005389 (search)

O=C(NCCCCCCn1ccnc1)c1ccc(Cl)s1 ZINC000025988473

ZINC000025988473 (search)

O=C(NCCCCCn1ccnc1)c1ccc(Cl)s1 ZINC000025989759

ZINC000025989759 (search)

O=C(NCCCCn1ccnc1)c1ccc(Cl)s1 ZINC000025990665

ZINC000025990665 (search)

O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCCCn1ccnc1 ZINC000026376868

ZINC000026376868 (search)

CCOC(=O)C1C(C)=NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026746649

ZINC000026746649 (search)

CCOC(=O)C1C(C)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026749400

ZINC000026749400 (search)

O=c1c2cc(Cl)ccc2nnn1CCCCn1ccnc1 ZINC000026380570

ZINC000026380570 (search)

O=C(O)CCCCO/N=C(/c1ccccc1)[C@H](Cc1ccc(Cl)cc1)n1ccnc1 ZINC000004624420

ZINC000004624420 (search)

O=C(O)CCCCO/N=C(/C1CCCCC1)[C@@H](Cc1cccc(F)c1)n1ccnc1 ZINC000013738915

ZINC000013738915 (search)

COC(=O)C1C(C)=NC(C)=C(C(C)=O)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000013833141

ZINC000013833141 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1cccc(F)c1)n1ccnc1 ZINC000003922268$

ZINC000003922268 (search)

O=C(O)CCCCO/N=C(/Cn1ccnc1)c1ccccc1 ZINC000013738881

ZINC000013738881 (search)

COC(=O)C1=C(C)N=C(C)C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026743769

ZINC000026743769 (search)

CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)[C@H]1c1cccc(-c2cccnc2)c1 ZINC000026744222

ZINC000026744222 (search)

C[C@@H](CNC(=O)c1cc(Br)ccc1N)Cn1ccnc1 ZINC000026390750

ZINC000026390750 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@@H](Cc1ccccn1)n1ccnc1 ZINC000013738921$

ZINC000013738921 (search)

Cn1nc(-c2cncs2)c2ccccc2c1=O ZINC000000017088

ZINC000000017088 (search)

CCOC(=O)C1C(COCCN)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026744153

ZINC000026744153 (search)

O=C(NCCCn1ccnc1)c1sc2ccccc2c1Cl ZINC000001802775

ZINC000001802775 (search)

O=C(NCCCn1ccnc1)c1cc2ccccc2o1 ZINC000002848242

ZINC000002848242 (search)

COc1ccc(C[C@@H](/C(=N/OCCCCC(=O)O)C2CCCCC2)n2ccnc2)cc1 ZINC000003922270

ZINC000003922270 (search)

CCc1c(O)c(OC)c(Cc2cccnc2)c2nc(NC)sc12 ZINC000026835731

ZINC000026835731 (search)

Cc1ccc(N)c(C(=O)NCCCCn2ccnc2)c1 ZINC000026388776

ZINC000026388776 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@@H](Cc1ccccc1F)n1ccnc1 ZINC000013738917$

ZINC000013738917 (search)

O=c1[nH]c2ccccc2c(=O)n1CCCCCn1ccnc1 ZINC000026381085

ZINC000026381085 (search)

Cc1ccc2ncn(CCCCn3ccnc3)c(=O)c2c1 ZINC000026390918

ZINC000026390918 (search)

$CCCCCC/C(Cn1ccnc1)=N\OCCCCC(=O)O ZINC000013738888$

ZINC000013738888 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccc(F)cc1)n1ccnc1 ZINC000003917074$

ZINC000003917074 (search)

$O=C(O)CCCCO/N=C(\c1ccccc1)[C@H](Cc1ccc(F)cc1)n1ccnc1 ZINC000003922263$

ZINC000003922263 (search)

CCOC(=O)C1C(COC)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026816388

ZINC000026816388 (search)

O=C(NCCCn1ccnc1)c1cc(Br)c(Br)s1 ZINC000012546494

ZINC000012546494 (search)

C[C@@H](Cn1ccnc1)Cn1c(=O)[nH]c2c(C(F)(F)F)cccc2c1=O ZINC000026391437

ZINC000026391437 (search)

$CCOC(=O)CCCCO/N=C(\C1CCCCC1)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000013738933$

ZINC000013738933 (search)

O=c1c2cc(Cl)ccc2ncn1CCCCn1ccnc1 ZINC000026377704

ZINC000026377704 (search)

C[C@@H](CCNC(=O)c1cc(Cl)ccc1N)n1ccnc1 ZINC000026385073

ZINC000026385073 (search)

$CC(C)(CCO/N=C(\c1ccccc1)[C@@H](Cc1ccccc1)n1ccnc1)CC(=O)O ZINC000013738925$

ZINC000013738925 (search)

O=c1[nH]c2ccccc2c(=O)n1CCCn1ccnc1 ZINC000026383047

ZINC000026383047 (search)

O=C(NCCCn1ccnc1)c1ccc(Cl)s1 ZINC000100269328

ZINC000100269328 (search)

O=C(O)CCCCO/N=C(/Cn1ccnc1)C1CCCCC1 ZINC000013738885

ZINC000013738885 (search)

CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1cccc(-n2ccnc2)c1 ZINC000000598549

ZINC000000598549 (search)

CCNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 ZINC000000007873

ZINC000000007873 (search)

CCOC(=O)C1C(COCCNC(=O)c2ccccc2C(=O)O)=NC(C)=C(C(=O)OC)[C@@H]1c1cccc(-n2ccnc2)c1 ZINC000026816788

ZINC000026816788 (search)

C[C@@H](CCn1c(=O)[nH]c2ccccc2c1=O)n1ccnc1 ZINC000026377847

ZINC000026377847 (search)

$O=C(CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccccc1)n1ccnc1)NO ZINC000003931772$

ZINC000003931772 (search)

CCOC(=O)C1=C(C)N=C(C)C(C(=O)OCC)[C@@H]1c1cccc(Cn2ccnc2)c1 ZINC000026816440

ZINC000026816440 (search)

$CC(C)(CCCO/N=C(\c1ccccc1)[C@@H](Cc1ccccc1)n1ccnc1)C(=O)O ZINC000013738923$

ZINC000013738923 (search)

O=c1[nH]c2ccc(Br)cc2c(=O)n1CCCCn1ccnc1 ZINC000026376928

ZINC000026376928 (search)

O=c1[nH]c2cc(Cl)ccc2c(=O)n1CCCCCn1ccnc1 ZINC000026377056

ZINC000026377056 (search)

$O=C(O)CCCCO/N=C(\c1ccccc1)[C@H](Cc1ccc(Cl)cc1)n1ccnc1 ZINC000003922266$

ZINC000003922266 (search)

$O=C(O)CCCCO/N=C(\C1CCCCC1)[C@H](Cc1ccc(C(F)(F)F)cc1)n1ccnc1 ZINC000003922273$

ZINC000003922273 (search)

C[C@@H](Cn1ccnc1)Cn1nnc2ccc(Cl)cc2c1=O ZINC000026381597

ZINC000026381597 (search)

C[C@@H](CCn1c(=O)[nH]c2c(Cl)cccc2c1=O)n1ccnc1 ZINC000026381431

ZINC000026381431 (search)

$O=C(O)CCCCCO/N=C(\c1ccccc1)[C@@H](Cc1ccccc1)n1ccnc1 ZINC000013738896$

ZINC000013738896 (search)

CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1 ZINC000026834815

ZINC000026834815 (search)

CCn1nc(-c2cccnc2)c2ccccc2c1=O ZINC000000005882

ZINC000000005882 (search)

Cc1ccc(C(=O)NCCCn2ccnc2)s1 ZINC000013745255

ZINC000013745255 (search)

Cc1ccc(N)c(C(=O)NC[C@H](C)Cn2ccnc2)c1 ZINC000026376776

ZINC000026376776 (search)

Oc1cc(-c2ccccc2)c2nc(NCc3cccnc3)sc2c1 ZINC000026826849

ZINC000026826849 (search)

O=c1c2ccccc2nnn1CCCn1ccnc1 ZINC000020745549

ZINC000020745549 (search)

C[C@@H](Cn1ccnc1)Cn1nnc2ccc(Br)cc2c1=O ZINC000026391238

ZINC000026391238 (search)

Cc1c(O)c(C)c2sc(NCc3cccnc3)nc2c1C ZINC000000007871

ZINC000000007871 (search)

CCNc1nc2c(C)c(C)c(O)c(Cc3cccnc3)c2s1 ZINC000000007874

ZINC000000007874 (search)

C[C@@H](CCNC(=O)c1ccc(Cl)s1)n1ccnc1 ZINC000025988497

ZINC000025988497 (search)

C[C@@H](CNC(=O)c1ccccc1N)Cn1ccnc1 ZINC000026378648

ZINC000026378648 (search)

C[C@@H](CCNC(=O)c1ccc(Cl)nc1)n1ccnc1 ZINC000025989671

ZINC000025989671 (search)

O=C(NCCCCCn1ccnc1)c1ccc(Cl)nc1 ZINC000025989881

ZINC000025989881 (search)

O=C(NCCCCn1ccnc1)c1cccs1 ZINC000025990984

ZINC000025990984 (search)

Cc1c(O)c2ccccc2c2nc(NCc3cccnc3)sc12 ZINC000026829188

ZINC000026829188 (search)

Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12 ZINC000000007872

ZINC000000007872 (search)

Cc1c(O)c(Cc2cccnc2)c2sc(N)nc2c1C ZINC000026829197

ZINC000026829197 (search)

COc1cc2nc(NCc3cccnc3)sc2c(OC)c1O ZINC000000007870

ZINC000000007870 (search)

C[C@@H](CCn1cnc2ccc(Cl)cc2c1=O)n1ccnc1 ZINC000026381215

ZINC000026381215 (search)