Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
1501 |
EN300-1726340_1_1
|
|
Cn1ccc(n1)n2cc(nc2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−10.3
± 0.2
|
7.5
± 0.2
|
1502 |
EN300-2977549_3_1
|
|
CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.1
|
7.5
± 0.1
|
1503 |
EN300-7121836_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5F |
−10.3
± 0.2
|
7.5
± 0.1
|
1504 |
EN300-172640_3_4
|
|
C[C@H]1[C@H](NC(=O)O1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1505 |
EN300-658865_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)CO |
−10.3
± 0.2
|
7.5
± 0.2
|
1506 |
EN300-71405_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1507 |
EN300-101505_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1508 |
EN300-118045_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc([nH]c5=O)C6CC6 |
−10.3
± 0.4
|
7.5
± 0.3
|
1509 |
EN300-85760_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCO5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1510 |
EN300-205110_2_1
|
|
C[C@H](CO)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.2
|
7.5
± 0.2
|
1511 |
EN300-1664865_1_2
|
|
Cn1c2c(nn1)CCC[C@H]2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−10.3
± 0.3
|
7.5
± 0.2
|
1512 |
EN300-7355519_3_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@H]6[C@H](O5)CCO6 |
−10.3
± 0.4
|
7.5
± 0.3
|
1513 |
EN300-637424_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6COC[C@H]6O |
−10.3
± 0.3
|
7.5
± 0.2
|
1514 |
EN300-122656_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCSC5)O |
−10.3
± 0.4
|
7.5
± 0.3
|
1515 |
EN300-247951_1_1
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−10.3
± 0.2
|
7.5
± 0.2
|
1516 |
EDJ-MED-e4b030d8-4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5COC5)Cl |
−10.3
± 0.2
|
7.5
± 0.1
|
1517 |
EN300-42154_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CCCC5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1518 |
EN300-6745081_3_2
|
|
C[C@]1(CCCCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1519 |
EN300-1719432_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5nc(nn5)C6CC6 |
−10.3
± 0.3
|
7.5
± 0.2
|
1520 |
EN300-312618_1_1
|
|
Cn1cc(n(c1=O)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1521 |
EN300-263346_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)n6c(n5)CCCC6 |
−10.3
± 0.3
|
7.5
± 0.2
|
1522 |
EN300-331828_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5COC[C@H]5O |
−10.3
± 0.2
|
7.5
± 0.1
|
1523 |
EN300-7457160_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5C[C@H](ON5)CC6(COC6)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1524 |
EN300-331828_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5COC[C@H]5O |
−10.3
± 0.3
|
7.5
± 0.2
|
1525 |
EN300-120068_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)OC |
−10.3
± 0.3
|
7.5
± 0.2
|
1526 |
EN300-11195_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCC5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1527 |
EN300-1452069_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CC5CCOCC5)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1528 |
EN300-39005_1_1
|
|
CN(CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC |
−10.3
± 0.3
|
7.5
± 0.2
|
1529 |
MAK-UNK-83e0a0b4-4_1
|
|
CCCCc1ccc2c(c1)[C@@H](CCO2)C(=O)N(CCNC3C[NH2+]C3)c4cncc5c4cccc5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1530 |
EN300-245036_1_1
|
|
C[C@H]1[C@@H](CCN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1531 |
EN300-95507_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)CO |
−10.3
± 0.2
|
7.5
± 0.2
|
1532 |
EN300-299532_3_2
|
|
CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1533 |
EN300-104029_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H](C5)C(=O)NC6=O |
−10.3
± 0.2
|
7.5
± 0.2
|
1534 |
EN300-217343_2_1
|
|
Cn1c2c(nn1)CC[C@@H](C2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−10.3
± 0.4
|
7.5
± 0.3
|
1535 |
EN300-53395_3_1
|
|
CCS(=O)(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.4
|
7.5
± 0.3
|
1536 |
EN300-783124_2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]([C@H]5CCOC5)F |
−10.3
± 0.2
|
7.5
± 0.2
|
1537 |
EN300-61898_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(nn5)n6ccnc6 |
−10.3
± 0.3
|
7.5
± 0.2
|
1538 |
EN300-76205_1_1
|
|
CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−10.3
± 0.3
|
7.5
± 0.2
|
1539 |
EN300-173562_2_3
|
|
C[C@@H]1C[C@H](CN1C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−10.3
± 0.2
|
7.5
± 0.1
|
1540 |
EN300-1241327_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N5CCOCC5 |
−10.3
± 0.2
|
7.5
± 0.1
|
1541 |
EN300-704025_3_1
|
|
COC1(CS(=O)(=O)C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1542 |
EN300-202757_1_1
|
|
C[C@@H](CC(=O)N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.3
|
7.5
± 0.2
|
1543 |
EN300-1706036_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C(=O)NCCO5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1544 |
EN300-206592_3_1
|
|
CCC[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1545 |
EN300-1700760_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(=O)N6 |
−10.3
± 0.2
|
7.5
± 0.2
|
1546 |
EN300-151461_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@H]6CCOC6 |
−10.3
± 0.2
|
7.5
± 0.2
|
1547 |
EN300-201553_3_1
|
|
Cn1cc(cn1)OCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1548 |
EN300-6745453_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5Cc6nncn6C5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1549 |
EN300-2958082_1_1
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)NC |
−10.3
± 0.3
|
7.5
± 0.2
|
1550 |
EN300-307084_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6C[C@@H]5C[C@@H]6O |
−10.3
± 0.3
|
7.5
± 0.2
|
1551 |
EN300-206592_1_2
|
|
CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)N |
−10.3
± 0.4
|
7.5
± 0.3
|
1552 |
EN300-67073_3_1
|
|
CC(=O)N[C@@](C)(C1CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1553 |
EN300-05512_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N[C@@H]5CCS(=O)(=O)C5 |
−10.3
± 0.4
|
7.5
± 0.3
|
1554 |
EN300-100916_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cn5nccn5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1555 |
JAG-UCB-706446eb-4
|
|
CCOC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.2
|
7.5
± 0.2
|
1556 |
EN300-6493972_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56C[C@H]5[C@@H](C6)O |
−10.3
± 0.2
|
7.5
± 0.2
|
1557 |
EN300-1608590_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5nc(on5)N6CCOCC6 |
−10.3
± 0.3
|
7.5
± 0.2
|
1558 |
ED_-GRI-5b13fbe2-35
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5c(c(cn5)C6=CCNCC6)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1559 |
EN300-141628_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc(c5)S(=O)(=O)N |
−10.3
± 0.4
|
7.5
± 0.3
|
1560 |
EN300-184446_1_1
|
|
Cc1ccn(c(=O)c1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1561 |
EDJ-MED-d203f206-38
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5CO |
−10.3
± 0.4
|
7.5
± 0.3
|
1562 |
EN300-7461023_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)N(=O)=O |
−10.3
± 0.3
|
7.5
± 0.2
|
1563 |
EN300-50631_1_1
|
|
CN(C)S(=O)(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.3
|
7.5
± 0.2
|
1564 |
EN300-7102031_3_1
|
|
COCC(CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)COC |
−10.3
± 0.5
|
7.5
± 0.4
|
1565 |
EN300-120569_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCCC#N |
−10.3
± 0.3
|
7.5
± 0.2
|
1566 |
EN300-7385329_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5Cc6[nH]cc[n+]6C5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1567 |
EN300-217107_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@@H]5C(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1568 |
EN300-310022_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H](C[N@]5c6ccncn6)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1569 |
EN300-05620_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCNC(=O)N |
−10.3
± 0.4
|
7.5
± 0.3
|
1570 |
EN300-6764836_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5C[C@H]6[C@@H]([C@@H]([C@@H]5O6)O)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1571 |
ALP-UNI-3496895b-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCS(=O)(=O)N6C5CCCC6 |
−10.3
± 0.5
|
7.5
± 0.3
|
1572 |
EN300-84785_2_2
|
|
C[C@H](CC(=O)N)NC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.3
|
7.5
± 0.2
|
1573 |
EN300-42195_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)CNC(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1574 |
EN300-59478_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCC(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1575 |
EN300-393334_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)CC(=O)N |
−10.3
± 0.4
|
7.5
± 0.3
|
1576 |
EN300-87528_3_1
|
|
CC(C)[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1577 |
EN300-207959_3_1
|
|
C[C@@]1(CCNC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1578 |
EN300-21303_3_1
|
|
CCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.3
|
7.5
± 0.2
|
1579 |
EN300-266023_2_1
|
|
Cn1cc(nn1)CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1580 |
EN300-157776_1_1
|
|
C[C@@H]1CN(C[C@@H](O1)CO)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1581 |
EN300-332606_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCC(=O)O5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1582 |
EN300-657320_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CSCC(=O)N5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1583 |
EN300-20284_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1584 |
EN300-7430165_1_1
|
|
CS(=O)(=O)CC1CC(C1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1585 |
JAG-UCB-706446eb-2
|
|
CCCNC(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.2
|
7.5
± 0.1
|
1586 |
EDJ-MED-fcba3f31-5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@H](CO)F |
−10.3
± 0.3
|
7.5
± 0.2
|
1587 |
EN300-39405_3_2
|
|
C[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−10.3
± 0.4
|
7.5
± 0.3
|
1588 |
EN300-182725_1_1
|
|
C[C@@H]([C@@H](C)S(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.2
|
7.5
± 0.2
|
1589 |
EN300-19392_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCO |
−10.3
± 0.3
|
7.5
± 0.2
|
1590 |
PET-UNK-29afea89-1
|
|
C#C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.3
± 0.1
|
7.49
± 0.08
|
1591 |
EN300-214800_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCNC5=O |
−10.3
± 0.2
|
7.5
± 0.2
|
1592 |
EN300-119126_1_1
|
|
Cc1[nH]nc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.2
|
7.5
± 0.2
|
1593 |
EDG-MED-90036822-20
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(c5cnc[nH]5)F |
−10.3
± 0.2
|
7.5
± 0.2
|
1594 |
EN300-301690_3_2
|
|
CS(=O)(=O)[N@@]1CC[C@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1595 |
EN300-14767_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCN(C5)C(=O)N |
−10.3
± 0.3
|
7.5
± 0.2
|
1596 |
EN300-11714_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccccc5=O |
−10.3
± 0.3
|
7.5
± 0.2
|
1597 |
EN300-2923949_1_1
|
|
c1ccc(cc1)[C@@H]([C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1598 |
EN300-248888_3_1
|
|
C[C@@](C=C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−10.3
± 0.3
|
7.5
± 0.2
|
1599 |
EN300-298552_1_3
|
|
CO[C@@H]([C@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|
1600 |
EN300-124457_1_1
|
|
C[NH+](C)Cc1cc(no1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.3
± 0.3
|
7.5
± 0.2
|