Compounds

Showing 5701 through 5800 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
5701 EN300-29617_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5C(=O)N6CCCCCC6N5 −6.8 ± 0.4 5.0 ± 0.3
5702 KAD-UNI-8a629cb0-10 molecule CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.8 ± 0.3 5.0 ± 0.2
5703 EDJ-MED-4c7486ba-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N −6.8 ± 0.3 5.0 ± 0.2
5704 EN300-52380_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CC(=O)N −6.8 ± 0.2 5.0 ± 0.2
5705 MAT-POS-bb423b95-9 molecule c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3Cl −6.8 ± 0.3 5.0 ± 0.2
5706 EDJ-MED-d08626de-3 molecule CO[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.8 ± 0.4 5.0 ± 0.3
5707 RAL-THA-2d450e86-7 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)F −6.8 ± 0.2 5.0 ± 0.2
5708 DAR-DIA-0d514e7d-35 molecule C[C@H]1[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −6.8 ± 0.3 5.0 ± 0.2
5709 EN300-23318_2_2 molecule C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.8 ± 0.4 5.0 ± 0.3
5710 EN300-180532_1_2 molecule C[C@H]1CN(CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.8 ± 0.4 5.0 ± 0.3
5711 EN300-307008_2_1 molecule CN1[C@@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.8 ± 0.3 5.0 ± 0.2
5712 MAT-POS-f9802937-2 molecule CN1c2ccc(cc2C(CC1=O)(C(=O)Nc3cncc4c3cccc4)O)Cl −6.8 ± 0.3 5.0 ± 0.2
5713 NAU-LAT-a5c7d7cb-2 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.8 ± 0.4 5.0 ± 0.3
5714 RAL-THA-2d450e86-23 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3F)F −6.8 ± 0.3 5.0 ± 0.2
5715 EN300-393148_2_1 molecule C[N@]1[C@@H](CCS1(=O)=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.8 ± 0.3 5.0 ± 0.2
5716 EN300-21009_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCO5 −6.8 ± 0.2 5.0 ± 0.1
5717 RAL-THA-2d450e86-3 molecule Cc1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 −6.8 ± 0.3 4.9 ± 0.2
5718 RAL-THA-05e671eb-3 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3ccc(c4)Cl −6.8 ± 0.2 4.9 ± 0.1
5719 EN300-1448674_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCn6c(ncn6)C5 −6.8 ± 0.3 4.9 ± 0.2
5720 EN300-341337_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CCO[C@@H]5CCOC6 −6.8 ± 0.2 4.9 ± 0.1
5721 EN300-1709315_2_2 molecule C[C@]1(CCCNS1(=O)=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.8 ± 0.3 4.9 ± 0.2
5722 LON-WEI-5e7d1b3e-18 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(cc3OC)OC −6.8 ± 0.6 4.9 ± 0.4
5723 EN300-172020_2_1 molecule Cn1cc(cn1)C[C@@H](C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −6.8 ± 0.2 4.9 ± 0.2
5724 EN300-74856_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCCS(=O)(=O)C5 −6.7 ± 0.3 4.9 ± 0.2
5725 EN300-7456641_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c(nn5)CCOC6 −6.7 ± 0.3 4.9 ± 0.3
5726 EN300-215852_2_1 molecule CCn1nc(c(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −6.7 ± 0.3 4.9 ± 0.2
5727 LON-WEI-4d77710c-27 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCCCC3 −6.7 ± 0.4 4.9 ± 0.3
5728 RAL-THA-1d44ff04-5 molecule CNC(=O)c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 −6.7 ± 0.3 4.9 ± 0.2
5729 EDJ-MED-4c7486ba-3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cnc[nH]5 −6.7 ± 0.3 4.9 ± 0.2
5730 JOH-SUS-a69c159d-4 molecule c1ccc2c(c1)c(cnc2C(F)(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −6.7 ± 0.1 4.89 ± 0.10
5731 EN300-68735_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[NH+]6CCOCC6 −6.7 ± 0.4 4.9 ± 0.3
5732 EN300-190026_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@H]5CCCO5 −6.7 ± 0.4 4.9 ± 0.3
5733 EN300-14405_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6n(c5=O)CCS6 −6.7 ± 0.3 4.9 ± 0.2
5734 LAU-MED-88a3970a-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCCO)Cl −6.7 ± 0.3 4.9 ± 0.2
5735 EN300-57990_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5[nH]nnn5 −6.7 ± 0.3 4.9 ± 0.2
5736 LON-WEI-4d77710c-52 molecule Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −6.7 ± 0.4 4.9 ± 0.3
5737 LON-WEI-5e7d1b3e-54 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4 −6.7 ± 0.5 4.9 ± 0.4
5738 EN300-246808_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCCS5(=O)=O −6.7 ± 0.6 4.9 ± 0.4
5739 JOH-SUS-a69c159d-3 molecule c1ccc2c(c1)c(cnc2C(F)F)NC(=O)C3CCOc4c3cc(cc4)Cl −6.7 ± 0.1 4.87 ± 0.10
5740 EN300-781107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)O −6.7 ± 0.4 4.9 ± 0.3
5741 RAL-THA-8416115c-11 molecule c1ccc2c(c1)cncc2NC(=O)C3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 −6.7 ± 0.3 4.9 ± 0.2
5742 EN300-83527_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6ncccn6n5 −6.7 ± 0.2 4.9 ± 0.2
5743 EN300-345754_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CCO −6.7 ± 0.3 4.9 ± 0.2
5744 NIR-THE-590dedc7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.7 ± 0.4 4.9 ± 0.3
5745 ALP-POS-6747fa38-1 molecule CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 −6.7 ± 0.5 4.9 ± 0.3
5746 ALP-UNI-0676e700-22 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O −6.7 ± 0.3 4.9 ± 0.2
5747 EN300-60862_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C(=O)N −6.7 ± 0.3 4.9 ± 0.2
5748 EN300-1071940_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@]5(CCCOC5)O −6.7 ± 0.2 4.8 ± 0.2
5749 EN300-304695_2_2 molecule CN1CCCC[C@H](C1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.7 ± 0.3 4.8 ± 0.2
5750 JOH-UNI-a38a7bdd-1 molecule c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)C(F)(F)F −6.7 ± 0.3 4.8 ± 0.2
5751 EN300-07676_2_1 molecule c1ccc(cc1)CC(=O)NCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.7 ± 0.2 4.8 ± 0.1
5752 RAL-THA-05e671eb-22 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cccc4F −6.65 ± 0.10 4.84 ± 0.07
5753 MAT-POS-bb423b95-7 molecule CN(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.64 ± 0.09 4.84 ± 0.07
5754 EN300-248618_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CS(=O)(=O)C5CC5 −6.6 ± 0.4 4.8 ± 0.3
5755 EN300-7459545_2_2 molecule C[NH+](C)C[C@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O −6.6 ± 0.4 4.8 ± 0.3
5756 RAL-THA-2d450e86-36 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3Cl −6.6 ± 0.3 4.8 ± 0.2
5757 EN300-1587757_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCNS5(=O)=O −6.6 ± 0.3 4.8 ± 0.2
5758 MIC-UNK-cdc2493e-17 molecule CC(=O)N1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.4 4.8 ± 0.3
5759 MAT-POS-2905de8c-3 molecule CN(C)C1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.5 4.8 ± 0.3
5760 EN300-260284_2_1 molecule Cn1c(c[nH]c1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.6 ± 0.2 4.8 ± 0.1
5761 MAT-POS-b5746674-37 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)CC4CCCO4 −6.6 ± 0.5 4.8 ± 0.3
5762 ALP-POS-d3acb8cc-2 molecule C[C@@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.2 4.8 ± 0.2
5763 RAL-THA-05e671eb-33 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4)F −6.6 ± 0.1 4.81 ± 0.10
5764 MIC-UNK-cdc2493e-9 molecule CC(=O)NC1CCC(CC1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.5 4.8 ± 0.4
5765 EN300-2908024_4_1 molecule CC[C@@](C)(C(=O)N)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.4 4.8 ± 0.3
5766 EDJ-MED-d203f206-27 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)CNC(=O)N −6.6 ± 0.3 4.8 ± 0.2
5767 EN300-1707879_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)C[C@@]56CCOC6 −6.6 ± 0.2 4.8 ± 0.1
5768 EN300-300825_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CCOCC5)CCO −6.6 ± 0.3 4.8 ± 0.2
5769 EN300-114526_2_1 molecule Cc1c(c([nH]n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −6.6 ± 0.2 4.8 ± 0.1
5770 EN300-6491795_2_1 molecule C[C@@H]1C2(CC(C2)(O1)CO)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.6 ± 0.3 4.8 ± 0.2
5771 MAK-UNK-ffc90da7-4 molecule CC(CNCC1CCCO1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.6 ± 0.3 4.8 ± 0.2
5772 MAK-UNK-8be7dca9-6 molecule c1cc(c2cncc(c2c1)NC(=O)C3CCOc4c3cc(cc4)Cl)CN −6.6 ± 0.1 4.79 ± 0.10
5773 KAD-UNI-8a629cb0-5 molecule Cn1c(nnn1)C2CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.6 ± 0.4 4.8 ± 0.3
5774 ALF-EVA-ced740bd-3 molecule c1cc2cncc(c2cc1F)NC(=O)C3COc4c3cc(cc4)F −6.6 ± 0.2 4.8 ± 0.1
5775 ALP-UNI-4b8a177c-1 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4O)Cl −6.6 ± 0.2 4.8 ± 0.1
5776 MAT-POS-3b92565d-7 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cc(ccc3OC)Cl −6.6 ± 0.3 4.8 ± 0.2
5777 RAL-THA-2d450e86-38 molecule Cc1ccccc1CC(=O)Nc2cncc3c2cccc3 −6.5 ± 0.2 4.8 ± 0.2
5778 MAT-POS-1f3f1a6f-2 molecule CN(C)C(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 −6.5 ± 0.3 4.8 ± 0.2
5779 EDJ-MED-40433386-6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]56CCO[C@H]5CCOC6 −6.5 ± 0.2 4.8 ± 0.1
5780 EN300-188217_4_1 molecule CC(C)(CS(=O)(=O)C)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.4 4.8 ± 0.3
5781 ADA-UCB-dc2b944c-13 molecule C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −6.5 ± 0.2 4.8 ± 0.2
5782 MAK-UNK-919546f0-4 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3O −6.5 ± 0.3 4.7 ± 0.2
5783 MAT-POS-8a69d52e-6 molecule C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl −6.5 ± 0.2 4.7 ± 0.2
5784 MIC-UNK-cdc2493e-18 molecule CC(=O)N1CCC(C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.2 4.7 ± 0.2
5785 EN300-6760451_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]nc6[n+]5cccc6 −6.5 ± 0.2 4.7 ± 0.2
5786 MAT-POS-b3e365b9-2 molecule c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −6.5 ± 0.2 4.7 ± 0.2
5787 EN300-386187_1_1 molecule COC(=O)N[C@H]1CCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.5 ± 0.3 4.7 ± 0.2
5788 MAT-POS-8e4737f4-1 molecule C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.50 ± 0.10 4.74 ± 0.07
5789 EDG-MED-971238d3-5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CN −6.5 ± 0.3 4.7 ± 0.2
5790 EN300-7351945_2_1 molecule CC1(C[C@@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −6.5 ± 0.2 4.7 ± 0.2
5791 JOH-UNI-f51e3bbc-3 molecule c1ccc2c(c1)cnc(c2NC(=O)C3CCOc4c3cc(cc4)Cl)O −6.5 ± 0.1 4.7 ± 0.1
5792 RAL-THA-05e671eb-23 molecule COc1cccc2c1OCCC2C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.1 4.72 ± 0.10
5793 EDJ-MED-8c98ee63-2 molecule Cn1ccc(n1)CNCC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.5 ± 0.3 4.7 ± 0.2
5794 RAL-THA-05e671eb-32 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(ccc4)Cl −6.5 ± 0.1 4.72 ± 0.08
5795 EN300-395954_2_2 molecule C[C@]12CN(CCN1C(=O)OC2)C(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −6.5 ± 0.3 4.7 ± 0.2
5796 EN300-174561_2_1 molecule Cn1cncc1CCC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.5 ± 0.2 4.7 ± 0.1
5797 DAR-DIA-076fb6ea-8 molecule C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.5 ± 0.4 4.7 ± 0.3
5798 EDG-MED-90036822-10 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N −6.5 ± 0.3 4.7 ± 0.2
5799 EN300-366852_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H](C5)c6[nH]nnn6 −6.5 ± 0.3 4.7 ± 0.2
5800 EDG-MED-5d232de5-5 molecule CN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.5 ± 0.3 4.7 ± 0.2
Last updated 2021-02-17T18:02:40.003401+00:00
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