Compounds

Showing 5601 through 5700 of 6426
Rank Compound SMILES ΔG / kcal M-1 pIC50
5601 NAU-LAT-2fed8305-9 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(co3)Cl −7.1 ± 0.2 5.2 ± 0.2
5602 MAT-POS-2492181e-4 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl −7.1 ± 0.6 5.2 ± 0.4
5603 EN300-124301_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCCn5ccnn5 −7.1 ± 0.2 5.2 ± 0.2
5604 EDG-MED-5d232de5-4 molecule CC(=O)N1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.3 5.2 ± 0.2
5605 EN300-1706036_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5C(=O)NCCO5 −7.1 ± 0.4 5.2 ± 0.3
5606 EN300-84186_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CO)CO −7.1 ± 0.4 5.2 ± 0.3
5607 RAL-THA-2d450e86-13 molecule Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 −7.1 ± 0.2 5.2 ± 0.2
5608 PET-UNK-b87f07d0-2 molecule C[C@H](CCc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3)NC(=O)C −7.1 ± 0.4 5.2 ± 0.3
5609 EN300-260760_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cc(=O)[nH][nH]5 −7.1 ± 0.2 5.2 ± 0.2
5610 EN300-313440_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[NH+](C5)C6CCOCC6 −7.1 ± 0.4 5.2 ± 0.3
5611 EDJ-MED-ee07cf00-7 molecule Cc1c(c(=O)ccn1CC(=O)NC(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4)O −7.1 ± 0.4 5.2 ± 0.3
5612 EN300-101291_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(c(=O)[nH]c5=O)CCO −7.1 ± 0.3 5.2 ± 0.2
5613 RAL-THA-2d450e86-35 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cnc3)F −7.1 ± 0.2 5.2 ± 0.2
5614 ED_-GRI-5b13fbe2-52 molecule CC(CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(c5cn(nn5)CC6CC6)N −7.1 ± 0.2 5.2 ± 0.2
5615 EN300-258702_2_1 molecule Cn1ccc(n1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.1 ± 0.3 5.2 ± 0.2
5616 NAU-LAT-30527ac5-4 molecule CC(=O)NCCc1c[nH]c2c1cc(cc2CC(=O)Nc3cncc4c3cccc4)Cl −7.1 ± 0.5 5.2 ± 0.4
5617 MIC-UNK-5a93dd5f-6 molecule CC(=O)N(C)C1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.4 5.2 ± 0.3
5618 EN300-70431_2_1 molecule COc1c(c(ncn1)OC)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.1 ± 0.2 5.2 ± 0.2
5619 EN300-137784_4_1 molecule CC1CCN(CC1)C(=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.1 ± 0.3 5.2 ± 0.2
5620 EN300-124164_2_1 molecule COCCN1CCN(CC1=O)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.1 ± 0.3 5.2 ± 0.2
5621 EN300-36911_4_1 molecule CNC(=O)NCC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.3 5.2 ± 0.2
5622 ALP-POS-5bb456a5-8 molecule c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN(CC5)C6CCOC6 −7.1 ± 0.4 5.2 ± 0.3
5623 LON-WEI-4d77710c-59 molecule Cn1cc(c2ccccc2c1=O)NC(=O)N(Cc3ccco3)CC4CCCO4 −7.1 ± 0.4 5.2 ± 0.3
5624 EN300-1212475_1_2 molecule CC1(CC(=O)NC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −7.1 ± 0.2 5.2 ± 0.2
5625 EDJ-MED-50011917-1 molecule c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)CC4CC(=O)N4 −7.07 ± 0.07 5.15 ± 0.05
5626 MIC-UNK-cdc2493e-14 molecule c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C4CCC(C4)N5CCCCC5 −7.1 ± 0.3 5.2 ± 0.2
5627 JOH-UNI-ea72002d-6 molecule C=CS(=O)(=O)NN(c1cncc2c1cccc2)C(=O)C3CCOc4c3cc(cc4)Cl −7.1 ± 0.2 5.2 ± 0.1
5628 LON-WEI-4d77710c-5 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(c(c3)OC)OC −7.1 ± 0.4 5.2 ± 0.3
5629 EN300-188377_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccnc6c5n[nH]n6 −7.1 ± 0.3 5.1 ± 0.2
5630 EN300-313438_2_1 molecule Cn1c2c(cn1)c(ncn2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.1 ± 0.3 5.1 ± 0.2
5631 MAK-UNK-ffc90da7-9 molecule CC1C(CCO1)SCC(C)c2ccc3c(c2)cncc3NC(=O)Cc4cccc(c4)Cl −7.1 ± 0.2 5.1 ± 0.1
5632 EN300-741926_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]([C@H](C5)F)O −7.1 ± 0.3 5.1 ± 0.3
5633 MAT-POS-e9e99895-10 molecule CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN −7.1 ± 0.3 5.1 ± 0.2
5634 EN300-321053_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCOC[C@@H]5O −7.1 ± 0.2 5.1 ± 0.1
5635 MAT-POS-2905de8c-2 molecule CNC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.3 5.1 ± 0.2
5636 PET-UNK-c9c1e0d8-2 molecule C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 −7.06 ± 0.09 5.14 ± 0.07
5637 DAR-DIA-0cde14eb-57 molecule CC(c1cccc(c1)C2(CC2)F)C(=O)Nc3cncc4c3cccc4 −7.1 ± 0.2 5.1 ± 0.2
5638 MAT-POS-bb423b95-6 molecule c1ccc2c(c1)c(c[nH]c2=O)NC(=O)Cc3cccc(c3)Cl −7.1 ± 0.3 5.1 ± 0.2
5639 RAL-THA-2d450e86-5 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)C#N −7.0 ± 0.3 5.1 ± 0.2
5640 EN300-18074_2_1 molecule CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.2 5.1 ± 0.1
5641 DAR-DIA-5d6f1b43-12 molecule c1ccc2c(c1)cncc2N3CC4(CCCCC4)CN(C3=O)c5cccc(c5)Cl −7.0 ± 0.4 5.1 ± 0.3
5642 LON-WEI-5e7d1b3e-39 molecule CC(CCc1ccco1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C −7.0 ± 0.3 5.1 ± 0.2
5643 EN300-7433071_1_2 molecule C[NH+](C)[C@]1(CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C(=O)N −7.0 ± 0.3 5.1 ± 0.2
5644 MAT-POS-3b92565d-9 molecule Cn1cc(c2ccccc2c1=O)NC(=O)Cc3cc(cc(c3)Cl)OC4CC(=O)N4 −7.0 ± 0.4 5.1 ± 0.3
5645 EN300-1689158_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(n[nH]5)C(=O)N −7.0 ± 0.3 5.1 ± 0.2
5646 ALP-POS-2da19ca7-4 molecule Cn1c(nnn1)C2CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.0 ± 0.4 5.1 ± 0.3
5647 ALP-UNI-0676e700-24 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5[C@H](CC(=O)N5)C(F)(F)F −7.0 ± 0.3 5.1 ± 0.2
5648 EN300-1716006_1_1 molecule CN(CC1NC(=O)NN1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.2 5.1 ± 0.2
5649 ALP-POS-f13221e1-2 molecule c1ccc2c(c1)cncc2NC(=O)COc3cccc(c3)Cl −7.02 ± 0.10 5.12 ± 0.07
5650 RAL-THA-05e671eb-21 molecule c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3cccc4Cl −7.0 ± 0.2 5.1 ± 0.1
5651 EN300-24014_1_2 molecule CS(=O)(=O)[N@]1CCCC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.4 5.1 ± 0.3
5652 EN300-303519_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnn6c5OCC6 −7.0 ± 0.3 5.1 ± 0.2
5653 JAN-GHE-f375bf5b-1 molecule CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC2CCNC2=O)C(=O)Nc3cncc4c3cccc4 −7.0 ± 0.4 5.1 ± 0.3
5654 EN300-746187_1_2 molecule CC1[NH2+]C2CC[C@@H](C[N@]2N1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −7.0 ± 0.7 5.1 ± 0.5
5655 JOH-UNI-f51e3bbc-2 molecule COc1c2ccccc2c(cn1)NC(=O)C3CCOc4c3cc(cc4)Cl −7.0 ± 0.1 5.10 ± 0.08
5656 JOH-UNI-f51e3bbc-1 molecule c1ccc2c(c1)c(c[nH]c2=O)NC(=O)C3CCOc4c3cc(cc4)Cl −7.0 ± 0.3 5.1 ± 0.2
5657 EN300-315854_2_2 molecule C[C@]1(CCNC(=O)C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.4 5.1 ± 0.3
5658 EN300-75030_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCC(=O)N5 −7.0 ± 0.3 5.1 ± 0.2
5659 JOH-UNI-ee5ed7c8-5 molecule CN(c1cncc2c1c(ccc2)C(=O)C#C)C(=O)Cc3cccc(c3)Cl −7.0 ± 0.3 5.1 ± 0.2
5660 EN300-137243_2_1 molecule CN(C)c1ncc(o1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −7.0 ± 0.2 5.1 ± 0.2
5661 NAU-LAT-b7d8c353-8_1 molecule c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)C[NH3+] −7.0 ± 0.1 5.07 ± 0.09
5662 ALF-EVA-ced740bd-1 molecule COc1c(ccc2c1c(cnc2)NC(=O)C3CCOc4c3cc(cc4)Cl)Cl −6.96 ± 0.09 5.07 ± 0.06
5663 EN300-118760_4_1 molecule C[C@@](C1CC1)(C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −6.9 ± 0.4 5.1 ± 0.3
5664 EN300-6486793_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CCCC5)S(=O)(=O)N −6.9 ± 0.3 5.1 ± 0.2
5665 EN300-76387_1_1 molecule C[C@@H](Cc1[nH]nnn1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.3 5.1 ± 0.3
5666 JOH-UNI-ee5ed7c8-10 molecule CN(c1c2ccccc2cnc1CC(F)(F)F)C(=O)Cc3cccc(c3)Cl −6.9 ± 0.4 5.0 ± 0.3
5667 EN300-31845_2_1 molecule COCCN1C[C@@H](CC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.2 5.0 ± 0.2
5668 RAL-THA-2d450e86-40 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccccc3C#N −6.9 ± 0.3 5.0 ± 0.2
5669 MIC-UNK-6ab519a7-1 molecule CC(=O)N1CCN(CC1)C(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.4 5.0 ± 0.3
5670 EN300-6792206_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5CCOCC5)O −6.9 ± 0.2 5.0 ± 0.2
5671 EN300-1590388_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cc(cn5)C#N −6.9 ± 0.3 5.0 ± 0.2
5672 EDJ-MED-2f867453-2 molecule CC1(CNc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.2 5.0 ± 0.2
5673 EDJ-MED-4c7486ba-1 molecule CN(C)CC(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.3 5.0 ± 0.3
5674 EN300-31210_1_2 molecule C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NS(=O)(=O)C −6.9 ± 0.3 5.0 ± 0.2
5675 EN300-187998_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@]6(C5)CC(=O)NC6 −6.9 ± 0.3 5.0 ± 0.2
5676 EN300-51735_2_1 molecule C[NH+](C)CCN1C[C@@H](CC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.3 5.0 ± 0.2
5677 EN300-99391_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CO[C@@H]5CCOC5 −6.9 ± 0.2 5.0 ± 0.1
5678 EN300-188915_1_2 molecule Cc1ccn(c(=O)c1)C[C@](C)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −6.9 ± 0.3 5.0 ± 0.2
5679 LON-WEI-4d77710c-48 molecule CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3cc(ccc3OC)OC −6.9 ± 0.7 5.0 ± 0.5
5680 EN300-217494_1_2 molecule C[C@]([C@@H]1CCOC1)(C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −6.9 ± 0.3 5.0 ± 0.2
5681 EN300-206646_2_1 molecule CS(=O)(=O)c1cncc(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.3 5.0 ± 0.2
5682 RAL-THA-05e671eb-14 molecule COc1ccc2c(c1)OCCC2C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.2 5.0 ± 0.2
5683 EN300-51028_4_1 molecule CC(C)S(=O)(=O)CC(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.3 5.0 ± 0.2
5684 EN300-132615_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N −6.9 ± 0.3 5.0 ± 0.2
5685 MIC-UNK-cdc2493e-22 molecule c1ccc2c(c1)cncc2NC(=O)N(CCn3ccnn3)c4cccc(c4)Cl −6.9 ± 0.4 5.0 ± 0.3
5686 EN300-96544_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5[nH]c(=O)[nH]n5 −6.9 ± 0.2 5.0 ± 0.2
5687 EN300-100180_2_1 molecule CC(=O)N1CC[C@@H](C1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.4 5.0 ± 0.3
5688 EN300-114805_2_1 molecule Cn1c(ccn1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.3 5.0 ± 0.2
5689 FRA-DIA-c7e803f4-1 molecule c1ccc2c(c1)cncc2NC(=O)C3COc4c3cccc4Cl −6.87 ± 0.07 5.01 ± 0.05
5690 EDJ-MED-9e38fd34-2 molecule C[C@]1(c2cc(ccc2NC1=O)Cl)C(=O)Nc3cncc4c3cccc4 −6.9 ± 0.3 5.0 ± 0.3
5691 EN300-251396_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CO)O −6.9 ± 0.5 5.0 ± 0.3
5692 NIR-THE-d08c3b48-1 molecule CC(=O)N1CCN(CC1)CC(=O)Nc2cncc3c2cccc3 −6.9 ± 0.4 5.0 ± 0.3
5693 EN300-378373_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COC5CC5 −6.9 ± 0.1 5.0 ± 0.1
5694 DAR-DIA-5ff57136-19 molecule CN(C)C/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −6.9 ± 0.3 5.0 ± 0.3
5695 ALP-POS-2da19ca7-1 molecule CCNC(=O)CN1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −6.9 ± 0.4 5.0 ± 0.3
5696 MIC-UNK-bcd487e9-6 molecule c1ccc2c(c1)cncc2NC(=O)N(CC3CCCS3(=O)=O)c4cccc(c4)Cl −6.9 ± 0.4 5.0 ± 0.3
5697 EN300-6746326_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCC(=O)NC5 −6.9 ± 0.3 5.0 ± 0.2
5698 EN300-1178005_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(on5)C#N −6.9 ± 0.2 5.0 ± 0.1
5699 RAL-THA-2d450e86-34 molecule c1ccc2c(c1)cncc2NC(=O)Cc3ccncc3Cl −6.9 ± 0.2 5.0 ± 0.2
5700 DAR-DIA-076fb6ea-3 molecule COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl −6.9 ± 0.5 5.0 ± 0.4
Last updated 2021-02-17T18:02:40.003401+00:00
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