Compounds

Showing 601 through 700 of 2668
Rank Compound SMILES ΔG / kcal M-1 pIC50
601 ALF-EVA-b701bd13-6 molecule c1ccc2c(c1)cncc2NC(=O)C3CCC(=O)Nc4c3cc(c(c4)Cl)Cl −8.1 ± 0.2 5.9 ± 0.1
602 ALP-POS-ce760d3f-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4O)Cl −8.06 ± 0.07 5.87 ± 0.05
603 RAL-THA-2d450e86-30 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)Cl −8.06 ± 0.10 5.87 ± 0.07
604 JOH-SUS-a69c159d-1 molecule Cc1c2ccccc2c(cn1)NC(=O)C3CCOc4c3cc(cc4)Cl −8.1 ± 0.2 5.9 ± 0.1
605 JOH-UNI-ee5ed7c8-9 molecule CN(c1c2ccccc2cnc1C#N)C(=O)Cc3cccc(c3)Cl −8.1 ± 0.5 5.9 ± 0.4
606 MIC-UNK-91acba05-6 molecule CN1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.05 ± 0.09 5.87 ± 0.07
607 MAT-POS-8a69d52e-4 molecule CC1COc2ccc(cc2C1C(=O)Nc3cncc4c3cccc4)Cl −8.1 ± 0.2 5.9 ± 0.2
608 ERI-UCB-ce40166b-1 molecule c1ccc2c(c1)cncc2CC(=O)Nc3cccc(c3)OC4CC(=O)N4 −8.1 ± 0.2 5.9 ± 0.2
609 ALP-POS-696356e4-1 molecule c1cc2cncc(c2cc1F)NC(=O)C3CCOc4c3cc(cc4)Cl −8.05 ± 0.07 5.86 ± 0.05
610 MAT-POS-4223bc15-4 molecule COCCS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.05 ± 0.08 5.86 ± 0.06
611 EDJ-MED-00143744-1 molecule Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −8.0 ± 0.2 5.9 ± 0.1
612 MIC-UNK-50cce87d-9 molecule c1cc(cc(c1)Cl)C2CCCN(C2=O)c3cncc4c3c(ccc4)F −8.0 ± 0.2 5.9 ± 0.1
613 EDJ-MED-9e38fd34-1 molecule CC1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −8.04 ± 0.10 5.86 ± 0.07
614 MAT-POS-dd3ad2b5-4 molecule CS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.04 ± 0.07 5.86 ± 0.05
615 LON-WEI-4d77710c-1 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3cc(ccc3OC)OC −8.0 ± 0.1 5.86 ± 0.08
616 ED_-GRI-5b13fbe2-23 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCn6c(c(cn6)CN)C5 −8.0 ± 0.3 5.9 ± 0.2
617 EDJ-MED-d203f206-24 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)Cn6ccnn6 −8.0 ± 0.4 5.9 ± 0.3
618 ALP-UNI-44c99a80-1 molecule c1ccc2c(c1)cncc2N(Cc3cnc[nH]3)C(=O)Cc4cccc(c4)Cl −8.0 ± 0.3 5.9 ± 0.2
619 MAT-POS-4223bc15-23 molecule CNC(=O)CN1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.03 ± 0.05 5.85 ± 0.04
620 DAR-DIA-5d6f1b43-12 molecule c1ccc2c(c1)cncc2N3CC4(CCCCC4)CN(C3=O)c5cccc(c5)Cl −8.0 ± 0.3 5.9 ± 0.2
621 VLA-UNK-db5e3064-2 molecule c1ccc2c(c1)cncc2N3C(=O)C(OC3=O)c4cccc(c4)Cl −8.0 ± 0.4 5.9 ± 0.3
622 ROB-UNI-322e8f70-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CNC(=O)c4c3cc(cc4)Cl −8.0 ± 0.2 5.9 ± 0.1
623 ALP-UNI-3496895b-15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC6C5C[C@H](C6)C(=O)N −8.0 ± 0.2 5.8 ± 0.2
624 JOH-UNI-6fede743-1 molecule c1ccc2c(c1)c(cnc2C(F)F)NC(=O)Cc3cccc(c3)Cl −8.0 ± 0.3 5.8 ± 0.2
625 MIC-UNK-a28eba03-4 molecule CC1(CCN(CC1)C(=O)Cc2cncc3c2cccc3)C −8.0 ± 0.4 5.8 ± 0.3
626 ALP-UNI-0676e700-1 molecule Cc1[nH]n2c(=O)c(cnc2n1)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −8.0 ± 0.4 5.8 ± 0.3
627 MIC-UNK-66895286-5 molecule c1ccc2c(c1)c(cnc2O)CC(=O)Nc3cccc(c3)Cl −8.0 ± 0.4 5.8 ± 0.3
628 JAG-UCB-f37eaa14-1 molecule c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)COc5c4cc(c(c5)F)Cl −8.0 ± 0.3 5.8 ± 0.2
629 DAR-DIA-6a508060-13 molecule CS(=O)(=O)NCCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.6 5.8 ± 0.4
630 EDG-MED-ba1ac7b9-9 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCCC5c6nc[nH]n6 −8.02 ± 0.09 5.84 ± 0.07
631 MAT-POS-fce787c2-8 molecule c1ccc2c(c1)cncc2NC(=O)C(C#N)c3ccc(c(c3)Cl)Cl −8.02 ± 0.10 5.84 ± 0.07
632 LON-WEI-4d77710c-48 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3cc(ccc3OC)OC −8.0 ± 0.2 5.8 ± 0.2
633 MIC-UNK-5a93dd5f-9 molecule CN(C)C1CCN(C1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.2 5.8 ± 0.1
634 MAT-POS-4223bc15-29 molecule CNC(=O)NS(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3cncc4c3cccc4)Cl −8.0 ± 0.2 5.8 ± 0.1
635 MAT-POS-11b63608-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(cc4)Br −8.01 ± 0.09 5.84 ± 0.07
636 MAT-POS-fce787c2-6 molecule c1ccc2c(c1)cncc2NC(=O)C(c3ccc(c(c3)Cl)Cl)(F)F −8.01 ± 0.10 5.83 ± 0.07
637 MAT-POS-8a69d52e-7 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −8.01 ± 0.09 5.83 ± 0.07
638 MAK-UNK-3875bbc8-1 molecule Cc1ccc2c(c1)C(CCO2)C(=O)N(C)c3cncc4c3cccc4 −8.0 ± 0.2 5.8 ± 0.2
639 MAT-POS-fce787c2-7 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)N −8.0 ± 0.4 5.8 ± 0.3
640 IVS-FNM-f9a14d04-1 molecule COc1c(cccc1Cl)CCCC(=O)Nc2cncc3c2cccc3 −8.0 ± 0.3 5.8 ± 0.2
641 MAT-POS-e6dd326d-13 molecule CN(C)C(=O)CNCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −8.00 ± 0.10 5.83 ± 0.07
642 EDJ-MED-f893e2a1-5 molecule c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CNCc5cc6nncn6nc5 −8.0 ± 0.2 5.8 ± 0.2
643 KAD-UNI-cb0f2bbc-15 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNCc5ccc(cc5S(=O)(=O)O)S(=O)(=O)O −8.0 ± 0.2 5.8 ± 0.1
644 EDG-MED-971238d3-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO −8.0 ± 0.1 5.8 ± 0.1
645 RAL-THA-2d450e86-8 molecule Cc1ccc(cc1Cl)CC(=O)Nc2cncc3c2cccc3 −8.00 ± 0.10 5.83 ± 0.07
646 MAK-UNK-c749d764-22 molecule CC(CNCC1CCCO1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.2 5.8 ± 0.1
647 DAR-DIA-0f2f46c9-7 molecule CNS(=O)(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.99 ± 0.09 5.82 ± 0.06
648 JOH-UNI-a38a7bdd-5 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)C4CC4F −8.0 ± 0.1 5.82 ± 0.10
649 MAK-UNK-c749d764-12 molecule c1ccc2c(c1)cncc2NC(=O)CC3CCCC(C3O)Cl −8.0 ± 0.2 5.8 ± 0.2
650 LON-WEI-5e7d1b3e-34 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(C3)c4ccccc4 −8.0 ± 0.2 5.8 ± 0.1
651 EDJ-MED-d203f206-33 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C[C@@H]5C(=O)N)O −8.0 ± 0.3 5.8 ± 0.2
652 ALF-EVA-a24cc7ce-6 molecule c1ccc2c(c1)cncc2C(=O)NC3CCOc4c3cc(cc4)Cl −8.0 ± 0.2 5.8 ± 0.2
653 DAR-DIA-0cde14eb-60 molecule CC(c1cccc(c1)C2(CC2)C#N)C(=O)Nc3cncc4c3cccc4 −8.0 ± 0.4 5.8 ± 0.3
654 JAG-UCB-f37eaa14-7 molecule CC([C@]1(C[C@@H](C1)N2c3c(cc(cc3)Cl)[C@@]4(C2)C(=O)N(CC4)c5c6c(cnc5)cccc6)O)C −8.0 ± 0.4 5.8 ± 0.3
655 MAT-POS-3b92565d-7 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cc(ccc3OC)Cl −8.0 ± 0.3 5.8 ± 0.2
656 FRA-DIA-b66f7109-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CNc4c3cc(cc4Cl)OC5CC(=O)N5 −8.0 ± 0.3 5.8 ± 0.2
657 ERI-UCB-b3e6b0c2-4 molecule CN1C[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cc(cc4)CN5CCNCC5 −8.0 ± 0.2 5.8 ± 0.1
658 MAT-POS-f9802937-3 molecule CN(C)C(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.95 ± 0.10 5.80 ± 0.07
659 KAD-UNI-8a629cb0-11 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5c(=O)[nH]cnc5O −8.0 ± 0.5 5.8 ± 0.4
660 MIC-UNK-67d4a29a-4 molecule CN(c1cncc2c1c(ccc2)OC)C(=O)Cc3cccc(c3)Cl −8.0 ± 0.4 5.8 ± 0.3
661 MAK-UNK-c749d764-1 molecule c1ccc2c(c1)cncc2NC(=O)CC3CCCC(C3O)C4CC4 −8.0 ± 0.2 5.8 ± 0.1
662 ALP-POS-e0fe77e5-1 molecule c1ccc2c(c1)cncc2N3CCCC(C3=O)c4ccc(c(c4)Cl)Cl −7.9 ± 0.3 5.8 ± 0.2
663 MIC-UNK-b9827f26-5 molecule Cc1ccc(cc1N2CCN(CC2=O)C(=O)c3cncc4c3cccc4)Cl −7.9 ± 0.2 5.8 ± 0.1
664 MIC-UNK-ea4eb352-4 molecule COC1(CCSc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.1 5.8 ± 0.1
665 MAT-POS-4223bc15-30 molecule c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)c5[nH]ccn5 −7.94 ± 0.05 5.79 ± 0.04
666 ALP-UNI-8d415491-6 molecule c1cc2cncc(c2cc1F)NC(=O)C3CCNc4c3cc(c(c4)Cl)Cl −7.94 ± 0.09 5.79 ± 0.07
667 LAU-MED-88a3970a-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCCO)Cl −7.9 ± 0.2 5.8 ± 0.1
668 LON-WEI-9739a092-3 molecule COc1cc(ccc1Nc2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4)Br −7.94 ± 0.08 5.78 ± 0.06
669 RAL-THA-c9f97604-1 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3c4cc(ccc4[C@H]5CC[C@@H]3O5)Cl −7.9 ± 0.4 5.8 ± 0.3
670 EDJ-MED-fcba3f31-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H]5CCNC5=O −7.9 ± 0.4 5.8 ± 0.3
671 PET-UNK-bb7ffe78-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)OC(F)(F)F −7.93 ± 0.08 5.78 ± 0.06
672 MAT-POS-e6dd326d-6 molecule COC(=O)NCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.93 ± 0.07 5.78 ± 0.05
673 ADA-UCB-dc2b944c-1 molecule c1ccc2c(c1)cncc2N3C(=O)CN([C@@]4(C3=O)CCOc5c4cc(cc5)Cl)CC6CCCCC6 −7.9 ± 0.2 5.8 ± 0.1
674 LEE-CAM-7ab9b158-1 molecule CN(C)C1COCC1OCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.9 ± 0.3 5.8 ± 0.2
675 ADA-UCB-dc2b944c-6 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC34CCC(O3)CC4)c5cccc(c5)Cl −7.9 ± 0.3 5.8 ± 0.2
676 MAT-POS-fc9ede84-1 molecule CN(C)C(=O)COCC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.92 ± 0.07 5.77 ± 0.05
677 VLA-UNK-8e76d113-4 molecule CO[C@]1(CCNc2c1cc(c(c2C#N)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.1 5.77 ± 0.10
678 MIC-UNK-8758c41d-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCS(=O)(=O)c4c3cc(c(c4)Cl)Cl −7.9 ± 0.1 5.77 ± 0.10
679 MAT-POS-4223bc15-37 molecule Cn1c(cnn1)C(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −7.92 ± 0.07 5.77 ± 0.05
680 MIC-UNK-d854bf4c-7 molecule CS(=O)(=O)N1CCC2(CC1)CCN(C(=O)C2c3cccc(c3)Cl)c4cncc5c4cccc5 −7.9 ± 0.1 5.8 ± 0.1
681 EDG-MED-90036822-104 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)C6CCNC6 −7.9 ± 0.5 5.8 ± 0.3
682 MAT-POS-61f37a1a-13 molecule Cc1[nH]cc(n1)CN2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl −7.91 ± 0.07 5.77 ± 0.05
683 MAT-POS-96f51285-2 molecule COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc(cc4)S(=O)(=O)C −7.91 ± 0.09 5.76 ± 0.06
684 MAT-POS-4223bc15-11 molecule CC1CCN(C1)S(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4cncc5c4cccc5)Cl −7.91 ± 0.06 5.76 ± 0.04
685 DAR-DIA-0587064e-26 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cc(c(c4OCc5ccc(cc5Cl)F)F)Cl −7.9 ± 0.2 5.8 ± 0.2
686 MIC-UNK-0a05c952-3 molecule c1ccc2c(c1)cncc2N3C(CC(C3=O)c4ccc(c(c4)Cl)Cl)C5CO5 −7.9 ± 0.2 5.8 ± 0.1
687 RAL-THA-8416115c-11 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −7.9 ± 0.5 5.8 ± 0.3
688 MIC-UNK-cdc2493e-12 molecule CN(C)C1CCC(C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.9 ± 0.2 5.8 ± 0.2
689 VLA-UCB-05e51b3f-12 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4OC5CC(=O)N5)Cl)CCC6CCCCC6 −7.9 ± 0.5 5.8 ± 0.4
690 MAT-POS-9ff17035-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4cccc(=O)[nH]4 −7.90 ± 0.09 5.76 ± 0.07
691 MIC-UNK-d854bf4c-1 molecule CC(=O)N1CCC2(CC1)CN(C(=O)C2c3cccc(c3)Cl)c4cncc5c4cccc5 −7.9 ± 0.1 5.75 ± 0.08
692 VLA-UCB-34f3ed0c-4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cc[nH]n5 −7.9 ± 0.4 5.8 ± 0.3
693 LON-WEI-5e7d1b3e-49 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3 −7.9 ± 0.3 5.8 ± 0.2
694 MAT-POS-f9802937-5 molecule CNC(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.89 ± 0.10 5.75 ± 0.07
695 LON-WEI-9739a092-9 molecule CCS(=O)(=O)N1CCN(CC1)c2cc(cc(c2)Cl)CC(=O)Nc3cncc4c3cccc4 −7.89 ± 0.08 5.75 ± 0.06
696 PET-UNK-dd44aeb6-2 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(ccc3Cl)Cl −7.89 ± 0.09 5.74 ± 0.07
697 ALP-POS-966f8da6-2 molecule CC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.88 ± 0.09 5.74 ± 0.07
698 DAR-DIA-53551c05-10 molecule c1ccc2c(c1)cncc2CN3c4cc(ccc4C(=O)C3=O)Br −7.9 ± 0.3 5.7 ± 0.2
699 MAT-POS-de59a476-4 molecule COCCOC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −7.87 ± 0.10 5.74 ± 0.07
700 LON-WEI-5e7d1b3e-5 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(c(c3)OC)OC −7.9 ± 0.3 5.7 ± 0.2
Last updated 2021-06-04T18:13:56.580002+00:00
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