MLST8

Reference Set (63 Compounds)

COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000043208634

ZINC000043208634 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(C)(C)C(=O)NC)cc1 ZINC000095586304

ZINC000095586304 (search)

O=C(c1nnc[nH]1)N1[C@H]2CC[C@@H]1C[C@@H](c1nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3[nH]ncc13)C2 ZINC000103085797

ZINC000103085797 (search)

O=C(c1nnc[nH]1)N1[C@H]2CC[C@@H]1C[C@@H](c1nc3c(-c4ccc(-c5ncc[nH]5)nc4)cnn3c3[nH]ccc13)C2 ZINC000103092226

ZINC000103092226 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2S(C)(=O)=O)cc1 ZINC000095586977

ZINC000095586977 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(C)=O)cc1 ZINC000095592072

ZINC000095592072 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C)cc1 ZINC000095587213

ZINC000095587213 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C2COC2)cc1 ZINC000095592053

ZINC000095592053 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C(=O)COC)cc1 ZINC000095589368

ZINC000095589368 (search)

CO[C@H]1CC[C@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1 ZINC000113222814

ZINC000113222814 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@H](O)CC1)C(=O)CN2 ZINC000113220403

ZINC000113220403 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2CC)cc1 ZINC000095590261

ZINC000095590261 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C2COC2)cc1 ZINC000095586247

ZINC000095586247 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2cnccn2)C3)cc1 ZINC000095573457

ZINC000095573457 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)C(=O)CN2 ZINC000113196525

ZINC000113196525 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C)cc1 ZINC000068203969

ZINC000068203969 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@H]2CC[C@@H]3N2C)cc1 ZINC000095589446

ZINC000095589446 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2ncccn2)C3)cc1 ZINC000095576405

ZINC000095576405 (search)

COCCN1C(=O)CNc2ncc(-c3ccc(-c4nnc[nH]4)nc3C)nc21 ZINC000113195022

ZINC000113195022 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(C1CCOCC1)C(=O)CN2 ZINC000113195210

ZINC000113195210 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N([C@H]1CC[C@@H](O)CC1)C(=O)CN2 ZINC000113219549

ZINC000113219549 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(CC1CCOCC1)C(=O)CN2 ZINC000113193845

ZINC000113193845 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C)cc1 ZINC000095585956

ZINC000095585956 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C(C)=O)cc1 ZINC000095589327

ZINC000095589327 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nc(C)ns2)C3)cc1 ZINC000095579291

ZINC000095579291 (search)

Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 ZINC000003963016

ZINC000003963016 (search)

CO[C@H]1CC[C@@H](N2C(=O)CNc3ncc(-c4ccc(-c5nnc[nH]5)nc4C)nc32)CC1 ZINC000148563353

ZINC000148563353 (search)

CCN1C(=O)CNc2ncc(-c3ccc(-c4nnc[nH]4)nc3C)nc21 ZINC000113191351

ZINC000113191351 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2S(C)(=O)=O)cc1 ZINC000095586012

ZINC000095586012 (search)

CO[C@H]1CC[C@@H](CN2C(=O)CNc3ncc(-c4ccc(-c5nc[nH]n5)nc4C)nc32)CC1 ZINC000113219593

ZINC000113219593 (search)

COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CO ZINC000052509466

ZINC000052509466 (search)

CO[C@H]1CC[C@@H](N2C(=O)CNc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1 ZINC000114617828

ZINC000114617828 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2cccnn2)C3)cc1 ZINC000095578569

ZINC000095578569 (search)

O=c1[nH]c2ncc(-c3ccc(-c4nc[nH]n4)cc3)nc2n1CCC1CCOCC1 ZINC000095604390

ZINC000095604390 (search)

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21 ZINC000024760115

ZINC000024760115 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(C(C)C)C(=O)CN2 ZINC000113194817

ZINC000113194817 (search)

O=C1CN(CCC2CCOCC2)c2nc(-c3ccc(-c4nc[nH]n4)cc3)cnc2N1 ZINC000095603272

ZINC000095603272 (search)

CCN1CC(=O)Nc2ncc(-c3ccc(-c4nnc[nH]4)nc3C)nc21 ZINC000113195745

ZINC000113195745 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(CCN1CCOCC1)C(=O)CN2 ZINC000113191915

ZINC000113191915 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(c2nnc(C)o2)C3)cc1 ZINC000095572134

ZINC000095572134 (search)

COCCN1CC(=O)Nc2ncc(-c3ccc(-c4nnc[nH]4)nc3C)nc21 ZINC000113191652

ZINC000113191652 (search)

CCN(CC)CCNC(=O)Nc1nc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 ZINC000473117362

ZINC000473117362 (search)

CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C2COC2)cc1 ZINC000095586016

ZINC000095586016 (search)

CO[C@H]1CC[C@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nnc[nH]5)nc4C)nc32)CC1 ZINC000113221128

ZINC000113221128 (search)

Cc1n[nH]c2c1c([C@H]1C[C@@H]3CC[C@H](C1)N3C(=O)c1nnc[nH]1)nc1c(-c3ccc(-c4ccccc4)nc3)cnn12 ZINC000103095109

ZINC000103095109 (search)

Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CO)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12 ZINC000103145863

ZINC000103145863 (search)

Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3ccc(-c4ccccc4)nc3)cnc12 ZINC000103145864

ZINC000103145864 (search)

Cc1nc(-c2nnc[nH]2)ccc1-c1cnc2c(n1)N(CCC1CCOCC1)CC(=O)N2 ZINC000113195952

ZINC000113195952 (search)

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1 ZINC000070471842

ZINC000070471842 (search)

CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)C(=O)CN3)cn1 ZINC000113196591

ZINC000113196591 (search)

CNC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1 ZINC000059258964

ZINC000059258964 (search)

CO[C@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(-c5nnc[nH]5)nc4C)nc32)CC1 ZINC000113191353

ZINC000113191353 (search)

CO[C@H]1CC[C@@H](CN2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1 ZINC000113222599

ZINC000113222599 (search)

CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)C(=O)CN3)cn1 ZINC000113195403

ZINC000113195403 (search)

CC(C)(O)c1ccc(-c2cnc3c(n2)N(CCC2CCOCC2)CC(=O)N3)cn1 ZINC000113196255

ZINC000113196255 (search)

CO[C@H]1CC[C@@H](N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1 ZINC000113223062

ZINC000113223062 (search)

CC(C)(O)c1ccc(-c2cnc3c(n2)N(CC2CCOCC2)CC(=O)N3)cn1 ZINC000095605274

ZINC000095605274 (search)

CO[C@H]1CC[C@H](N2CC(=O)Nc3ncc(-c4ccc(C(C)(C)O)nc4)nc32)CC1 ZINC000113219973

ZINC000113219973 (search)

COCCN1C(=O)CNc2ncc(-c3ccc(C(C)(C)O)nc3)nc21 ZINC000113196488

ZINC000113196488 (search)

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1CO ZINC000049019448

ZINC000049019448 (search)

Cn1ccc(-c2ccc(-c3cnc4c(N)nc([C@H]5C[C@@H]6CC[C@H](C5)N6C(=O)c5nnc[nH]5)cn34)cn2)n1 ZINC000103145860

ZINC000103145860 (search)

Nc1nc([C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2nnc[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12 ZINC000103145857

ZINC000103145857 (search)

CC(C)(O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCOCC4)c3n2)cn1 ZINC000095605069

ZINC000095605069 (search)