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| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 49601 | ZTG | 0 | C18 H30 Cl N O4 Si | InChI=1S/C18H30ClNO4Si/c1 -10(2)25(11(3)4,12(5)6)24 -17(16(20)18(22)23)13-7-8 -15(21)14(19)9-13/h7-12,1 6-17,21H,20H2,1-6H3,(H,22 ,23)/t16-,17-/m1/s1; FNRYKHQDTZHUJG-IAGOWNOFSA-N |
CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c( Cl)c1)(C(C)C)C(C)C; Oc1ccc(cc1Cl)C(O[Si] (C(C)C)(C(C)C)C(C)C)C(N)C(=O)O; CC(C)[Si ](O[C@@H]([C@@H](N)C(O)=O)c1ccc(O)c(Cl)c 1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C)C)O C(c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si]( C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@H ](C(=O)O)N |
(betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-D-tyrosine |
| 49602 | ZTH ZINC000058649877 |
0 | C8 H13 N2 O7 P | InChI=1S/C8H13N2O7P/c1-5- 2-10(8(13)9-7(5)12)3-6(11 )4-17-18(14,15)16/h2,6,11 H,3-4H2,1H3,(H,9,12,13)(H 2,14,15,16)/t6-/m0/s1; WWYWEFRSGDVKHI-LURJTMIESA-N |
O=P(O)(O)OCC(O)CN1C=C(C(=O)NC1=O)C; CC1= CN(C[CH](O)CO[P](O)(O)=O)C(=O)NC1=O; CC1 =CN(C[C@H](O)CO[P](O)(O)=O)C(=O)NC1=O; C C1=CN(C(=O)NC1=O)CC(COP(=O)(O)O)O; CC1=C N(C(=O)NC1=O)C[C@@H](COP(=O)(O)O)O |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-THYMINE |
| 49603 | ZTI CHEMBL3104427 ZINC000000813401 |
1 | C8 H7 N3 S | InChI=1S/C8H7N3S/c9-8-11- 7(5-12-8)6-3-1-2-4-10-6/h 1-5H,(H2,9,11); BLKHMTAXNXLDJP-UHFFFAOYSA-N |
c1ccnc(c1)c2csc(n2)N; Nc1scc(n1)c2ccccn2 | 4-pyridin-2-yl-1,3-thiazol-2-amine |
| 49604 | ZTK CHEMBL4172293 ZINC000000901380 |
0 | C4 H6 N2 O2 | InChI=1S/C4H6N2O2/c5-2-1- 3(6)4(7)8/h3H,1,6H2,(H,7, 8)/t3-/m0/s1; BXRLWGXPSRYJDZ-VKHMYHEASA-N |
C(C#N)C(C(=O)O)N; N[CH](CC#N)C(O)=O; N[C @@H](CC#N)C(O)=O; C(C#N)[C@@H](C(=O)O)N; N#CCC(N)C(=O)O |
(2S)-2-amino-3-cyanopropanoic acid |
| 49605 | ZTL | 2 | C24 H34 N2 O | InChI=1S/C24H34N2O/c25-15 -16-6-8-21(9-7-16)26-23(2 7)22-18-10-17-11-19(22)14 -24(12-17,13-18)20-4-2-1- 3-5-20/h1-5,16-19,21-22H, 6-15,25H2,(H,26,27)/t16-, 17-,18-,19+,21-,22-,24-; IRIFICPLNIURJD-IXFKACPXSA-N |
c1ccc(cc1)C23C[C@H]4CC(C2)C[C@@H](C3)C4C (=O)NC5CCC(CC5)CN; NC[CH]1CC[CH](CC1)NC( =O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5 ; c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)N C5CCC(CC5)CN; O=C(NC1CCC(CC1)CN)C1C2CC3C C1CC(C3)(C2)c1ccccc1; NC[C@H]1CC[C@@H](C C1)NC(=O)[C@@H]2[C@@H]3CC4C[C@H]2CC(C4)( C3)c5ccccc5 |
(1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide |
| 49606 | ZTM | 0 | Ac | InChI=1S/Ac/q+3; NBPXRFNLHVPTNL-UHFFFAOYSA-N |
[Ac+3] | Actinium Ion |
| 49607 | ZTN ZINC000000409209 |
2 | C6 H4 F2 O | InChI=1S/C6H4F2O/c7-4-2-1 -3-5(9)6(4)8/h1-3,9H; RPEPGIOVXBBUMJ-UHFFFAOYSA-N |
Oc1cccc(F)c1F; c1cc(c(c(c1)F)F)O | 2,3-bis(fluoranyl)phenol |
| 49608 | ZTO | 2 | C23 H19 F N2 O3 | InChI=1S/C23H19FN2O3/c1-2 9-18-8-5-15(6-9-18)22(27) 25-17-4-2-3-14(11-17)12-2 0-19-13-16(24)7-10-21(19) 26-23(20)28/h2-11,13,20H, 12H2,1H3,(H,25,27)(H,26,2 8)/t20-/m1/s1; PMXAOPMAOYNZJP-HXUWFJFHSA-N |
COc1ccc(cc1)C(=O)Nc2cccc(c2)CC3c4cc(ccc4 NC3=O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[CH]3 C(=O)Nc4ccc(F)cc34)c2; COc1ccc(cc1)C(=O) Nc1cccc(c1)CC1c2cc(F)ccc2NC1=O; COc1ccc( cc1)C(=O)Nc2cccc(c2)C[C@@H]3c4cc(ccc4NC3 =O)F; COc1ccc(cc1)C(=O)Nc2cccc(C[C@H]3C( =O)Nc4ccc(F)cc34)c2 |
N-(3-{[(3R)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}phenyl)-4-methoxybenzamide |
| 49609 | ZTP ZINC000062227954 |
4 | C40 H68 O7 P2 | InChI=1S/C40H68O7P2/c1-33 (2)17-10-18-34(3)19-11-20 -35(4)21-12-22-36(5)23-13 -24-37(6)25-14-26-38(7)27 -15-28-39(8)29-16-30-40(9 )31-32-46-49(44,45)47-48( 41,42)43/h17,19,21,23,25, 27,29,31H,10-16,18,20,22, 24,26,28,30,32H2,1-9H3,(H ,44,45)(H2,41,42,43)/b34- 19-,35-21-,36-23-,37-25-, 38-27-,39-29-,40-31-; IKKLDISSULFFQO-DLTKSLTJSA-N |
CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/ C(=C\CC/C(=C\CC/C(=C\CO[P@@](=O)(O)OP(=O )(O)O)/C)/C)/C)/C)/C)/C)/C)C; CC(C)=CCC\ C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\C(C)=C/CC\ C(C)=C/CC\C(C)=C/CC\C(C)=C/CO[P](O)(=O)O [P](O)(O)=O; O=P(O)(O)OP(=O)(OC/C=C(/C)C C/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)C C/C=C(/C)CC/C=C(/C)CC\C=C(/C)C)O; CC(=CC CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(= CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C; C C(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC C(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O )(O)=O |
(2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate |
| 49610 | ZTQ ZINC000003063328 |
2 | C15 H14 O3 | InChI=1S/C15H14O3/c1-11(1 5(16)17)18-14-9-7-13(8-10 -14)12-5-3-2-4-6-12/h2-11 H,1H3,(H,16,17)/t11-/m0/s 1; FUPGQEMJIGUBGO-NSHDSACASA-N |
CC(C(=O)O)Oc1ccc(cc1)c2ccccc2; C[C@@H](C (=O)O)Oc1ccc(cc1)c2ccccc2; C[CH](Oc1ccc( cc1)c2ccccc2)C(O)=O; C[C@H](Oc1ccc(cc1)c 2ccccc2)C(O)=O; CC(Oc1ccc(cc1)c1ccccc1)C (=O)O |
(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid |
| 49611 | ZTR CHEMBL1188227 ZINC000004202816 |
0 | C9 H11 N O2 | InChI=1S/C9H11NO2/c10-6-8 -4-2-1-3-7(8)5-9(11)12/h1 -4H,5-6,10H2,(H,11,12); VLOIVYPDUSVCLZ-UHFFFAOYSA-N |
NCc1ccccc1CC(O)=O; NCc1ccccc1CC(=O)O; c1 ccc(c(c1)CC(=O)O)CN |
[2-(aminomethyl)phenyl]acetic acid |
| 49612 | ZTS | 2 | C10 H13 N2 O8 P | InChI=1S/C10H13N2O8P/c1-5 -8(13)7(3-12-9(14)10(15)1 6)6(2-11-5)4-20-21(17,18) 19/h2,13H,3-4H2,1H3,(H,12 ,14)(H,15,16)(H2,17,18,19 ); UBNNJGPDPGHCQB-UHFFFAOYSA-N |
Cc1ncc(CO[P](O)(O)=O)c(CNC(=O)C(O)=O)c1O ; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=O)C(=O)O )O; Oc1c(CNC(=O)C(=O)O)c(cnc1C)COP(=O)(O )O |
[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino](oxo)acetic acid |
| 49613 | ZTT CHEMBL5422047 |
4 | C26 H28 N2 O4 | InChI=1S/C26H28N2O4/c1-17 -23-7-5-21(15-19(23)9-11- 27(3)25(17)29)31-13-14-32 -22-6-8-24-18(2)26(30)28( 4)12-10-20(24)16-22/h5-12 ,15-18H,13-14H2,1-4H3; HXVCPXGIAZLACO-UHFFFAOYSA-N |
C[C@@H]1c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c (c3)C=CN(C(=O)[C@@H]4C)C; C[CH]1C(=O)N(C )C=Cc2cc(OCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4 c3)ccc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCOc3 ccc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; CC1 c2ccc(cc2C=CN(C1=O)C)OCCOc3ccc4c(c3)C=CN (C(=O)C4C)C |
(1R)-7-[2-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]ethoxy]-1,3-dimethyl-1H-3-benzazepin-2-one; (1R,1'R)-7,7'-(ethane-1,2-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) |
| 49614 | ZTV | 1 | C21 H26 N6 O2 | InChI=1S/C21H26N6O2/c1-14 -12-28-9-7-26(14)17-11-18 (27-8-10-29-13-15(27)2)23 -21-19(17)24-20(25-21)16- 5-3-4-6-22-16/h3-6,11,14- 15H,7-10,12-13H2,1-2H3,(H ,23,24,25)/t14-,15+/m1/s1; WJWKTGFLLWKVGW-CABCVRRESA-N |
C[CH]1COCCN1c2cc(N3CCOC[CH]3C)c4[nH]c(nc 4n2)c5ccccn5; CC1COCCN1c1cc(nc2nc([NH]c2 1)c1ccccn1)N1CCOCC1C; C[C@H]1COCCN1c2cc( N3CCOC[C@H]3C)c4[nH]c(nc4n2)c5ccccn5; CC 1COCCN1c2cc(nc3c2[nH]c(n3)c4ccccn4)N5CCO CC5C; C[C@@H]1COCCN1c2cc(nc3c2[nH]c(n3)c 4ccccn4)N5CCOC[C@@H]5C |
(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(pyridin-2-yl)-1H-imidazo[4,5-b]pyridine |
| 49615 | ZTW CHEMBL431698 DB08773 ZINC000003581478 |
2 | C14 H10 O2 S | InChI=1S/C14H10O2S/c15-11 -4-1-9(2-5-11)13-7-10-3-6 -12(16)8-14(10)17-13/h1-8 ,15-16H; MDGWZLQPNOETLH-UHFFFAOYSA-N |
Oc3ccc(c2sc1cc(O)ccc1c2)cc3; Oc1ccc(cc1) c2sc3cc(O)ccc3c2; c1cc(ccc1c2cc3ccc(cc3s 2)O)O |
RALOXIFENE CORE |
| 49616 | ZTX CHEMBL4649424 |
2 | C24 H26 N6 O2 | InChI=1S/C24H26N6O2/c1-28 -20-6-4-3-5-19(20)23(32)2 9(2)21-15-25-24(27-22(21) 28)26-16-7-9-17(10-8-16)3 0-13-11-18(31)12-14-30/h3 -10,15,18,31H,11-14H2,1-2 H3,(H,25,26,27); DFQAJLQXPSPNJE-UHFFFAOYSA-N |
CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CC C(O)CC5)ncc13; O=C2c5ccccc5N(c1nc(ncc1N2 C)Nc3ccc(cc3)N4CCC(O)CC4)C; CN1c2ccccc2C (=O)N(c3c1nc(nc3)Nc4ccc(cc4)N5CCC(CC5)O) C |
2-((4-(4-HYDROXYPIPERIDIN-1-YL)PHENYL)AMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO [5,4-B][1,4]DIAZEPIN-6(11H)-ONE |
| 49617 | ZTY CHEMBL5403564 |
2 | C29 H34 N2 O4 | InChI=1S/C29H34N2O4/c1-20 -26-10-8-24(18-22(26)12-1 4-30(3)28(20)32)34-16-6-5 -7-17-35-25-9-11-27-21(2) 29(33)31(4)15-13-23(27)19 -25/h8-15,18-21H,5-7,16-1 7H2,1-4H3/t20-,21-/m1/s1; LPZBOHUHUQVYMM-NHCUHLMSSA-N |
CC1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c(c 3)C=CN(C(=O)C4C)C; C[CH]1C(=O)N(C)C=Cc2c c(OCCCCCOc3ccc4[CH](C)C(=O)N(C)C=Cc4c3)c cc12; C[C@H]1C(=O)N(C)C=Cc2cc(OCCCCCOc3c cc4[C@@H](C)C(=O)N(C)C=Cc4c3)ccc12; C[C@ @H]1c2ccc(cc2C=CN(C1=O)C)OCCCCCOc3ccc4c( c3)C=CN(C(=O)[C@@H]4C)C |
(1R)-7-[5-[[(1R)-1,3-dimethyl-2-oxidanylidene-1H-3-benzazepin-7-yl]oxy]pentoxy]-1,3-dimethyl-1H-3-benzazepin-2-one; (1R,1'R)-7,7'-(pentane-1,5-diylbis(oxy))bis(1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one) |
| 49618 | ZU0 ZINC000000404775 |
0 | C8 H17 N O3 | InChI=1S/C8H17NO3/c1-5(6( 9)7(10)11)12-8(2,3)4/h5-6 H,9H2,1-4H3,(H,10,11)/t5- ,6+/m1/s1; NMJINEMBBQVPGY-RITPCOANSA-N |
CC(C(C(=O)O)N)OC(C)(C)C; C[CH](OC(C)(C)C )[CH](N)C(O)=O; C[C@@H](OC(C)(C)C)[C@H]( N)C(O)=O; O=C(O)C(N)C(OC(C)(C)C)C; C[C@H ]([C@@H](C(=O)O)N)OC(C)(C)C |
O-tert-butyl-L-threonine |
| 49619 | ZU3 ZINC000058649879 |
2 | C32 H49 N5 O7 | InChI=1S/C32H49N5O7/c1-20 (2)16-25(28(40)35-24(13-1 2-21(3)38)17-23-14-15-33- 27(23)39)36-29(41)26(18-3 4-30(42)32(4,5)6)37-31(43 )44-19-22-10-8-7-9-11-22/ h7-11,20,23-26H,12-19H2,1 -6H3,(H,33,39)(H,34,42)(H ,35,40)(H,36,41)(H,37,43) /t23-,24+,25-,26-/m0/s1; IEQRDAZPCPYZAJ-QYOOZWMWSA-N |
O=C(OCc1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(= O)NCC2)CCC(=O)C)CC(C)C)CNC(=O)C(C)(C)C; CC(C)CC(C(=O)NC(CCC(=O)C)CC1CCNC1=O)NC(= O)C(CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2; CC (C)C[CH](NC(=O)[CH](CNC(=O)C(C)(C)C)NC(= O)OCc1ccccc1)C(=O)N[CH](CCC(C)=O)C[CH]2C CNC2=O; CC(C)C[C@H](NC(=O)[C@H](CNC(=O)C (C)(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC (C)=O)C[C@@H]2CCNC2=O; CC(C)C[C@@H](C(=O )N[C@H](CCC(=O)C)C[C@@H]1CCNC1=O)NC(=O)[ C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2 |
N-[(benzyloxy)carbonyl]-3-[(2,2-dimethylpropanoyl)amino]-L-alanyl-N-[(1R)-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}pentyl]-L-leucinamide; TG-0204998 |
| 49620 | ZU4 ZINC000095921220 |
1 | C18 H22 Cl N O | InChI=1S/C18H22ClNO/c1-2- 3-4-5-8-15-11-12-20(18(21 )13-15)14-16-9-6-7-10-17( 16)19/h6-7,9-13H,2-5,8,14 H2,1H3; PJBRBZYHOXOPFM-UHFFFAOYSA-N |
CCCCCCC1=CC(=O)N(C=C1)Cc2ccccc2Cl; CCCCC CC1=CC(=O)N(Cc2ccccc2Cl)C=C1; Clc1c(cccc 1)CN2C=CC(=CC2=O)CCCCCC |
1-(2-CHLOROBENZYL)-4-HEXYLPYRIDIN-2(1H)-ONE |
| 49621 | ZU5 ZINC000058649880 |
1 | C34 H52 N4 O7 | InChI=1S/C34H52N4O7/c1-21 (2)18-27(31(41)36-26(14-1 5-28(39)24-12-13-24)19-25 -16-17-35-30(25)40)37-32( 42)29(22(3)45-34(4,5)6)38 -33(43)44-20-23-10-8-7-9- 11-23/h7-11,21-22,24-27,2 9H,12-20H2,1-6H3,(H,35,40 )(H,36,41)(H,37,42)(H,38, 43)/t22-,25+,26-,27+,29+/ m1/s1; QIMPWBPEAHOISN-XSLDCGIXSA-N |
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N [C@H](CCC(=O)C1CC1)C[C@@H]2CCNC2=O)NC(=O )OCc3ccccc3)OC(C)(C)C; O=C(OCc1ccccc1)NC (C(=O)NC(C(=O)NC(CC2C(=O)NCC2)CCC(=O)C3C C3)CC(C)C)C(OC(C)(C)C)C; CC(C)CC(C(=O)NC (CCC(=O)C1CC1)CC2CCNC2=O)NC(=O)C(C(C)OC( C)(C)C)NC(=O)OCc3ccccc3; CC(C)C[CH](NC(= O)[CH](NC(=O)OCc1ccccc1)[CH](C)OC(C)(C)C )C(=O)N[CH](CCC(=O)C2CC2)C[CH]3CCNC3=O; CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc 1)[C@@H](C)OC(C)(C)C)C(=O)N[C@H](CCC(=O) C2CC2)C[C@@H]3CCNC3=O |
N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-[(1R)-4-cyclopropyl-4-oxo-1-{[(3S)-2-oxopyrrolidin-3-yl]methyl}butyl]-L-leucinamide; TG-0205486 |
| 49622 | ZU6 CHEMBL5420153 |
1 | C14 H15 N3 O4 | InChI=1S/C14H15N3O4/c1-15 -12(18)8-17-11(6-7-13(19) 20)16-10-5-3-2-4-9(10)14( 17)21/h2-5H,6-8H2,1H3,(H, 15,18)(H,19,20); DEMTVGMQPPAESO-UHFFFAOYSA-N |
CNC(=O)CN1C(=Nc2ccccc2C1=O)CCC(=O)O; O=C (O)CCC1=Nc2ccccc2C(=O)N1CC(=O)NC; CNC(=O )CN1C(=O)c2ccccc2N=C1CCC(O)=O |
3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid |
| 49623 | ZU7 ZINC000019371019 |
1 | C12 H16 F N3 O | InChI=1S/C12H16FN3O/c13-1 0-1-3-11(4-2-10)15-12(17) 9-16-7-5-14-6-8-16/h1-4,1 4H,5-9H2,(H,15,17); ICEIGLHBKQEEMG-UHFFFAOYSA-N |
Fc1ccc(NC(=O)CN2CCNCC2)cc1; O=C(CN1CCNCC 1)Nc1ccc(F)cc1; c1cc(ccc1NC(=O)CN2CCNCC2 )F |
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide |
| 49624 | ZU9 CHEMBL5430040 |
1 | C20 H19 N3 O4 | InChI=1S/C20H19N3O4/c24-1 8(21-12-14-6-2-1-3-7-14)1 3-23-17(10-11-19(25)26)22 -16-9-5-4-8-15(16)20(23)2 7/h1-9H,10-13H2,(H,21,24) (H,25,26); QZFFZTYIGSWGJT-UHFFFAOYSA-N |
c1ccc(cc1)CNC(=O)CN2C(=Nc3ccccc3C2=O)CCC (=O)O; O=C(O)CCC1=Nc2ccccc2C(=O)N1CC(=O) NCc1ccccc1; OC(=O)CCC1=Nc2ccccc2C(=O)N1C C(=O)NCc3ccccc3 |
3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid |
| 49625 | ZUC ZINC000097233745 |
2 | C13 H11 F N2 O2 | InChI=1S/C13H11FN2O2/c1-8 -3-2-4-11(17)12(8)16-13(1 8)9-5-6-15-7-10(9)14/h2-7 ,17H,1H3,(H,16,18); PDGRBWXZTBUJKY-UHFFFAOYSA-N |
Cc1cccc(O)c1NC(=O)c2ccncc2F; O=C(Nc1c(C) cccc1O)c1ccncc1F; Cc1cccc(c1NC(=O)c2ccnc c2F)O |
3-fluoro-N-(2-hydroxy-6-methylphenyl)pyridine-4-carboxamide |
| 49626 | ZUD ZINC000013916432 |
2 | C25 H36 N6 O4 S | InChI=1S/C25H36N6O4S/c1-5 -8-20-22-23(31(4)29-20)25 (32)28-24(27-22)19-16-18( 10-11-21(19)35-15-6-2)36( 33,34)26-13-12-17-9-7-14- 30(17)3/h10-11,16-17,26H, 5-9,12-15H2,1-4H3,(H,27,2 8,32)/t17-/m1/s1; IYFNEFQTYQPVOC-QGZVFWFLSA-N |
CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2) [S](=O)(=O)NCC[CH]4CCCN4C; CN1CCCC1CCNS( =O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c (OCCC)cc1; CCCc1c2c(n(n1)C)C(=O)N=C(N2)c 3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C; CCCc1 c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(= O)(=O)NCC[C@H]4CCCN4C; CCCOc1ccc(cc1C2=N C(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[C@ H]4CCCN4C |
Udenafil; (3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide |
| 49627 | ZUE CHEMBL5410606 |
1 | C21 H20 Cl N3 O5 | InChI=1S/C21H20ClN3O5/c1- 30-16-8-3-2-5-13(16)11-23 -18(26)12-25-17(9-10-19(2 7)28)24-20-14(21(25)29)6- 4-7-15(20)22/h2-8H,9-12H2 ,1H3,(H,23,26)(H,27,28); YLHSFRZHEMHKAF-UHFFFAOYSA-N |
COc1ccccc1CNC(=O)CN1C(=Nc2c(cccc2Cl)C1=O )CCC(=O)O; COc1ccccc1CNC(=O)CN2C(=Nc3c(c ccc3Cl)C2=O)CCC(=O)O; COc1ccccc1CNC(=O)C N2C(=O)c3cccc(Cl)c3N=C2CCC(O)=O |
3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid |
| 49628 | ZUF CHEMBL546826 ZINC000000613579 |
1 | C13 H9 Cl N4 S | InChI=1S/C13H9ClN4S/c14-9 -4-5-12(16-7-9)18-13-17-1 1(8-19-13)10-3-1-2-6-15-1 0/h1-8H,(H,16,17,18); XIMLXPRKZACEAD-UHFFFAOYSA-N |
Clc1ccc(Nc2scc(n2)c3ccccn3)nc1; c1ccnc(c 1)c2csc(n2)Nc3ccc(cn3)Cl |
~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine |
| 49629 | ZUG ZINC000004208850 |
7 | C7 H10 N2 O2 S | InChI=1S/C7H10N2O2S/c1-9( 2)12(10,11)7-4-3-5-8-6-7/ h3-6H,1-2H3; HGZULNNLLFYOFI-UHFFFAOYSA-N |
CN(C)[S](=O)(=O)c1cccnc1; O=S(=O)(c1cccn c1)N(C)C; CN(C)S(=O)(=O)c1cccnc1 |
N,N-dimethylpyridine-3-sulfonamide |
| 49630 | ZUI CHEMBL4874579 |
2 | C22 H23 Cl N4 O3 | InChI=1S/C22H23ClN4O3/c1- 15-13-27(22(29)25-21(15)2 8)18-5-7-26(8-6-18)14-16- 9-20(12-24-11-16)30-19-4- 2-3-17(23)10-19/h2-4,9-13 ,18H,5-8,14H2,1H3,(H,25,2 8,29); RNTPQXGZOHDUAY-UHFFFAOYSA-N |
CC1=CN(C(=O)NC1=O)C2CCN(CC2)Cc3cc(cnc3)O c4cccc(c4)Cl; CC1=CN(C2CCN(CC2)Cc3cncc(O c4cccc(Cl)c4)c3)C(=O)NC1=O |
1-[1-[[5-(3-chloranylphenoxy)pyridin-3-yl]methyl]piperidin-4-yl]-5-methyl-pyrimidine-2,4-dione |
| 49631 | ZUJ | 1 | C17 H16 N2 O6 S | InChI=1S/C17H16N2O6S/c18- 26(22,23)14-6-3-12(4-7-14 )19-16(20)10-24-13-5-1-11 -2-8-17(21)25-15(11)9-13/ h1,3-7,9H,2,8,10H2,(H,19, 20)(H2,18,22,23); VZWHIVSDDFPQBV-UHFFFAOYSA-N |
NS(=O)(=O)c1ccc(cc1)NC(=O)COc1ccc2CCC(=O )Oc2c1; N[S](=O)(=O)c1ccc(NC(=O)COc2ccc3 CCC(=O)Oc3c2)cc1; c1cc(ccc1NC(=O)COc2ccc 3c(c2)OC(=O)CC3)S(=O)(=O)N |
2-[(2-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-(4-sulfamoylphenyl)acetamide; coumarin benzene sulfonamide SG1-51 |
| 49632 | ZUK ZINC000058649883 |
0 | C9 H13 N3 O2 | InChI=1S/C9H13N3O2/c10-7( 9(13)14)3-1-4-8-11-5-2-6- 12-8/h2,5-7H,1,3-4,10H2,( H,13,14)/t7-/m1/s1; UREVLRRGQRTHIJ-SSDOTTSWSA-N |
c1cnc(nc1)CCC[C@H](C(=O)O)N; N[C@H](CCCc 1ncccn1)C(O)=O; O=C(O)C(N)CCCc1ncccn1; N [CH](CCCc1ncccn1)C(O)=O; c1cnc(nc1)CCCC( C(=O)O)N |
5-pyrimidin-2-yl-D-norvaline |
| 49633 | ZUL CHEMBL5415616 |
1 | C19 H14 F N O2 | InChI=1S/C19H14FNO2/c20-1 5-9-10-17(19(22)23)18(12- 15)21-16-8-4-7-14(11-16)1 3-5-2-1-3-6-13/h1-12,21H, (H,22,23); JGUSPMKKPPHSQY-UHFFFAOYSA-N |
c1ccc(cc1)c2cccc(c2)Nc3cc(ccc3C(=O)O)F; OC(=O)c1ccc(F)cc1Nc2cccc(c2)c3ccccc3 |
4-fluoranyl-2-[(3-phenylphenyl)amino]benzoic acid |
| 49634 | ZUN | 4 | C18 H22 N4 O6 | InChI=1S/C18H22N4O6/c1-11 -6-15(28-20-11)8-17(24)21 -10-14(23)7-16(21)18(25)1 9-9-12-2-4-13(5-3-12)22(2 6)27/h2-6,14,16,23,26-27H ,7-10H2,1H3,(H,19,25)/t14 -,16+/m1/s1; WJYVXCQUWDPFNN-ZBFHGGJFSA-N |
Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3 )N(O)O)O; Cc1cc(on1)CC(=O)N2C[C@@H](C[C@ H]2C(=O)NCc3ccc(cc3)N(O)O)O; O=C(N2C(C(= O)NCc1ccc(N(O)O)cc1)CC(O)C2)Cc3onc(c3)C; Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3cc c(cc3)N(O)O)on1; Cc1cc(CC(=O)N2C[C@H](O) C[C@H]2C(=O)NCc3ccc(cc3)N(O)O)on1 |
(4R)-N-[4-(DIHYDROXYAMINO)BENZYL]-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE |
| 49635 | ZUO CHEMBL5431805 |
1 | C19 H25 N7 O2 | InChI=1S/C19H25N7O2/c1-12 -10-27-7-5-25(12)15-9-16( 26-6-8-28-11-13(26)2)21-1 9-17(15)22-18(23-19)14-3- 4-20-24-14/h3-4,9,12-13H, 5-8,10-11H2,1-2H3,(H,20,2 4)(H,21,22,23)/t12-,13+/m 1/s1; LXQPWBFVIIXOMV-OLZOCXBDSA-N |
C[C@H]1COCCN1c2cc(N3CCOC[C@H]3C)c4nc([nH ]c4n2)c5cc[nH]n5; CC1COCCN1c1cc(nc2[NH]c (nc21)c1cc[NH]n1)N1CCOCC1C; CC1COCCN1c2c c(nc3c2nc([nH]3)c4cc[nH]n4)N5CCOCC5C; C[ C@@H]1COCCN1c2cc(nc3c2nc([nH]3)c4cc[nH]n 4)N5CCOC[C@@H]5C; C[CH]1COCCN1c2cc(N3CCO C[CH]3C)c4nc([nH]c4n2)c5cc[nH]n5 |
(2M)-7-[(3R)-3-methylmorpholin-4-yl]-5-[(3S)-3-methylmorpholin-4-yl]-2-(1H-pyrazol-3-yl)-3H-imidazo[4,5-b]pyridine |
| 49636 | ZUP CHEMBL5416336 |
2 | C20 H18 N2 O3 | InChI=1S/C20H18N2O3/c23-2 0(24)18-10-5-12-21-19(18) 22-16-8-4-9-17(14-16)25-1 3-11-15-6-2-1-3-7-15/h1-1 0,12,14H,11,13H2,(H,21,22 )(H,23,24); RPAUBABQNGCBRR-UHFFFAOYSA-N |
OC(=O)c1cccnc1Nc2cccc(OCCc3ccccc3)c2; c1 ccc(cc1)CCOc2cccc(c2)Nc3c(cccn3)C(=O)O |
2-[[3-(2-phenylethoxy)phenyl]amino]pyridine-3-carboxylic acid |
| 49637 | ZUQ CHEMBL3818173 ZINC000584905725 |
1 | C15 H13 Cl N4 O3 | InChI=1S/C15H13ClN4O3/c16 -10-6-18-15-13(22-7-23-15 )12(10)19-9-3-4-17-11(5-9 )20-14(21)8-1-2-8/h3-6,8H ,1-2,7H2,(H2,17,18,19,20, 21); WJASKODGMHBDFO-UHFFFAOYSA-N |
c1cnc(cc1Nc2c(cnc3c2OCO3)Cl)NC(=O)C4CC4; Clc1cnc2OCOc2c1Nc3ccnc(NC(=O)C4CC4)c3 |
N-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-2-pyridyl]cyclopropanecarboxamide |
| 49638 | ZUS CHEMBL5570336 ZINC000005268990 |
1 | C18 H16 N2 O6 S | InChI=1S/C18H16N2O6S/c19- 27(23,24)15-6-1-12(2-7-15 )10-20-17(21)11-25-14-5-3 -13-4-8-18(22)26-16(13)9- 14/h1-9H,10-11H2,(H,20,21 )(H2,19,23,24); HEUYOCWZUGZHBD-UHFFFAOYSA-N |
c1cc(ccc1CNC(=O)COc2ccc3c(c2)OC(=O)C=C3) S(=O)(=O)N; NS(=O)(=O)c1ccc(cc1)CNC(=O)C Oc1ccc2C=CC(=O)Oc2c1; N[S](=O)(=O)c1ccc( CNC(=O)COc2ccc3C=CC(=O)Oc3c2)cc1 |
2-[(2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide |
| 49639 | ZUT CHEMBL5437959 |
1 | C20 H16 F N O3 | InChI=1S/C20H16FNO3/c21-1 5-9-10-18(20(23)24)19(11- 15)22-16-7-4-8-17(12-16)2 5-13-14-5-2-1-3-6-14/h1-1 2,22H,13H2,(H,23,24); SPDQLJLHAQECOP-UHFFFAOYSA-N |
c1ccc(cc1)COc2cccc(c2)Nc3cc(ccc3C(=O)O)F ; OC(=O)c1ccc(F)cc1Nc2cccc(OCc3ccccc3)c2 |
4-fluoranyl-2-[(3-phenylmethoxyphenyl)amino]benzoic acid |
| 49640 | ZUV | 4 | C17 H31 F N O4 P | InChI=1S/C17H31FNO4P/c1-3 -5-14-19-17(20)22-15-12-1 0-8-6-7-9-11-13-16-24(18, 21)23-4-2/h1H,4-16H2,2H3, (H,19,20)/t24-/m1/s1; XPLTVISHLDPSGW-XMMPIXPASA-N |
CCO[P](F)(=O)CCCCCCCCCCOC(=O)NCCC#C; CCO [P@](F)(=O)CCCCCCCCCCOC(=O)NCCC#C; CCO[P @](=O)(CCCCCCCCCCOC(=O)NCCC#C)F; FP(=O)( CCCCCCCCCCOC(=O)NCCC#C)OCC; CCOP(=O)(CCC CCCCCCCOC(=O)NCCC#C)F |
ethyl (R)-(10-{[(but-3-yn-1-yl)carbamoyl]oxy}decyl)phosphonofluoridate |
| 49641 | ZUW ZINC000064541990 |
1 | C11 H13 N O2 | InChI=1S/C11H13NO2/c1-9(1 3)12-6-7-14-11-5-3-2-4-10 (11)8-12/h2-5H,6-8H2,1H3; SCYVZWVJHDZYSQ-UHFFFAOYSA-N |
CC(=O)N1Cc2ccccc2OCC1; CC(=O)N1CCOc2cccc c2C1 |
1-(2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)ethan-1-one |
| 49642 | ZUY CHEMBL3426740 ZINC000205190475 |
5 | C19 H21 N5 S | InChI=1S/C19H21N5S/c1-5-6 -7-8-24-18-15(17(20)21-11 -22-18)23-19(24)25-16-13( 3)9-12(2)10-14(16)4/h1,9- 11H,6-8H2,2-4H3,(H2,20,21 ,22); FFJTXDGAXOSYBK-UHFFFAOYSA-N |
Cc1cc(C)c(Sc2nc3c(N)ncnc3n2CCCC#C)c(C)c1 ; Cc1cc(C)cc(C)c1Sc1nc2c(N)ncnc2n1CCCC#C ; Cc1cc(c(c(c1)C)Sc2nc3c(ncnc3n2CCCC#C)N )C |
9-(pent-4-yn-1-yl)-8-[(2,4,6-trimethylphenyl)sulfanyl]-9H-purin-6-amine |
| 49643 | ZUZ ZINC000001467774 |
1 | C10 H17 N O3 | InChI=1S/C10H17NO3/c1-14- 9(12)7-11-10(13)8-5-3-2-4 -6-8/h8H,2-7H2,1H3,(H,11, 13); ANWVRESNPYHPKG-UHFFFAOYSA-N |
O=C(NCC(=O)OC)C1CCCCC1; COC(=O)CNC(=O)C1 CCCCC1 |
methyl N-(cyclohexanecarbonyl)glycinate |
| 49644 | ZV1 | 2 | C23 H26 F N5 O6 | InChI=1S/C23H26FN5O6/c24- 15-12-13(5-6-14(15)20(32) 26-17(22(34)35)7-8-18(30) 31)4-2-1-3-10-29-11-9-16- 19(29)21(33)28-23(25)27-1 6/h5-6,9,11-12,17H,1-4,7- 8,10H2,(H,26,32)(H,30,31) (H,34,35)(H3,25,27,28,33) /t17-/m1/s1; SPSKTOLBULFCQW-QGZVFWFLSA-N |
NC1=Nc2ccn(CCCCCc3ccc(c(F)c3)C(=O)N[C@H] (CCC(O)=O)C(O)=O)c2C(=O)N1; c1cc(c(cc1CC CCCn2ccc3c2C(=O)NC(=N3)N)F)C(=O)NC(CCC(= O)O)C(=O)O; NC1=Nc2ccn(CCCCCc3ccc(c(F)c3 )C(=O)N[CH](CCC(O)=O)C(O)=O)c2C(=O)N1; O =C(O)C(CCC(=O)O)NC(=O)c1ccc(cc1F)CCCCCn1 ccc2N=C(N)NC(=O)c21; c1cc(c(cc1CCCCCn2cc c3c2C(=O)NC(=N3)N)F)C(=O)N[C@H](CCC(=O)O )C(=O)O |
N-{4-[5-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)pentyl]-2-fluorobenzoyl}-D-glutamic acid |
| 49645 | ZV2 | 4 | C11 H11 F N3 O S | InChI=1S/C11H11FN3OS/c12- 8-1-3-9(4-2-8)14-10(16)7- 15-5-6-17-11(15)13/h1-6H, 7,13H2,(H,14,16); DBANAUMFACXVKZ-UHFFFAOYSA-N |
Nc1scc[n]1CC(=O)Nc2ccc(F)cc2; c1cc(ccc1N C(=O)C[N]2=C(SC=C2)N)F |
2-(2-azanyl-1,3-thiazol-3-yl)-~{N}-(4-fluorophenyl)ethanamide |
| 49646 | ZV4 ZINC000013650361 |
0 | C9 H12 N O5 P | InChI=1S/C9H12NO5P/c10-8( 9(11)12)5-6-1-3-7(4-2-6)1 6(13,14)15/h1-4,8H,5,10H2 ,(H,11,12)(H2,13,14,15)/t 8-/m0/s1; DGIHNAYKZDFPPV-QMMMGPOBSA-N |
N[C@@H](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O; c 1cc(ccc1C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH ](Cc1ccc(cc1)[P](O)(O)=O)C(O)=O; c1cc(cc c1CC(C(=O)O)N)P(=O)(O)O |
(2S)-2-azanyl-3-(4-phosphonophenyl)propanoic acid; phosphophenylalanine |
| 49647 | ZV5 ZINC000022014935 |
5 | C7 H11 N3 O2 | InChI=1S/C7H11N3O2/c11-5- 7(10-6(12)9-5)2-1-3-8-4-7 /h8H,1-4H2,(H2,9,10,11,12 )/t7-/m1/s1; PLFDWSDBRBNQLQ-SSDOTTSWSA-N |
O=C1NC(=O)[C]2(CCCNC2)N1; C1CC2(CNC1)C(= O)NC(=O)N2; C1C[C@@]2(CNC1)C(=O)NC(=O)N2 ; O=C1NC(=O)NC21CCCNC2; O=C1NC(=O)[C@]2( CCCNC2)N1 |
(5R)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
| 49648 | ZV7 | 0 | C5 H9 Cl N2 O2 | InChI=1S/C5H9ClN2O2/c6-4- 5(10)8(7)2-1-3-9/h3H,1-2, 4,7H2; QFHNLZAUZFBCAM-UHFFFAOYSA-N |
C(CN(C(=O)CCl)N)C=O; NN(CCC=O)C(=O)CCl; ClCC(=O)N(N)CCC=O |
2-chloro-N-(3-oxopropyl)acetohydrazide |
| 49649 | ZV8 ZINC000095910876 |
1 | C11 H17 N3 | InChI=1S/C11H17N3/c1-11(2 ,3)10-13-7-8-6-12-5-4-9(8 )14-10/h7,12H,4-6H2,1-3H3; TXNXUFABOGCLLO-UHFFFAOYSA-N |
CC(C)(C)c1ncc2CNCCc2n1; CC(C)(C)c1ncc2c( n1)CCNC2 |
2-tert-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine |
| 49650 | ZVA CHEMBL3948538 |
4 | C21 H24 F N7 O2 | InChI=1S/C21H24FN7O2/c1-1 2(2)28-16-6-18(29-19-14(9 -27-29)5-13(7-23)8-25-19) 24-10-15(16)20(30)26-11-1 7(22)21(3,4)31/h5-6,8-10, 12,17,31H,11H2,1-4H3,(H,2 4,28)(H,26,30)/t17-/m1/s1; KXZCEDGLILHLAT-QGZVFWFLSA-N |
CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F)n2c3c (cc(cn3)C#N)cn2; CC(C)Nc1cc(ncc1C(=O)NC[ CH](F)C(C)(C)O)n2ncc3cc(cnc23)C#N; CC(C) Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)n2c3c( cc(cn3)C#N)cn2; CC(C)Nc1cc(ncc1C(=O)NC[C @@H](F)C(C)(C)O)n2ncc3cc(cnc23)C#N; CC(C )(O)C(F)CNC(=O)c1cnc(cc1NC(C)C)n1ncc2cc( cnc21)C#N |
(6M)-6-(5-cyano-1H-pyrazolo[3,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| 49651 | ZVB | 2 | C10 H12 N2 | InChI=1S/C10H12N2/c1-7(2) 9-6-10-8(12-9)4-3-5-11-10 /h3-7,12H,1-2H3; OKEHFANNANVSEO-UHFFFAOYSA-N |
CC(C)c1cc2c([nH]1)cccn2; CC(C)c1cc2ncccc 2[NH]1; CC(C)c1[nH]c2cccnc2c1 |
2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine |
| 49652 | ZVD CHEMBL6055328 |
4 | C18 H24 F2 N6 O2 | InChI=1S/C18H24F2N6O2/c1- 10(2)25-13-5-15(26-16-12( 19)7-21-9-24-16)22-6-11(1 3)17(27)23-8-14(20)18(3,4 )28/h5-7,9-10,14,28H,8H2, 1-4H3,(H,23,27)(H2,21,22, 24,25,26)/t14-/m1/s1; STMUIBGUZVAURD-CQSZACIVSA-N |
CC(C)Nc1cc(Nc2ncncc2F)ncc1C(=O)NC[C@@H]( F)C(C)(C)O; CC(C)Nc1cc(ncc1C(=O)NCC(C(C) (C)O)F)Nc2c(cncn2)F; CC(C)Nc1cc(ncc1C(=O )NC[C@H](C(C)(C)O)F)Nc2c(cncn2)F; CC(C)N c1cc(Nc2ncncc2F)ncc1C(=O)NC[CH](F)C(C)(C )O; Fc1cncnc1Nc1cc(NC(C)C)c(cn1)C(=O)NCC (F)C(C)(C)O |
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(5-fluoropyrimidin-4-yl)amino]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| 49653 | ZVE ZINC000238860517 |
1 | C10 H14 F3 N3 | InChI=1S/C10H14F3N3/c1-16 -6-8(10(11,12)13)15-9(16) 7-3-2-4-14-5-7/h6-7,14H,2 -5H2,1H3/t7-/m1/s1; ZPUMPEAGLZCEBQ-SSDOTTSWSA-N |
Cn1cc(nc1C1CNCCC1)C(F)(F)F; Cn1cc(nc1C2C CCNC2)C(F)(F)F; Cn1cc(nc1[C@@H]2CCCNC2)C (F)(F)F; Cn1cc(nc1[CH]2CCCNC2)C(F)(F)F |
(3R)-3-[1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl]piperidine |
| 49654 | ZVG CHEMBL3353194 ZINC000149660518 |
2 | C19 H24 F N7 O2 | InChI=1S/C19H24FN7O2/c1-1 1(2)26-14-5-16(27-18-24-7 -12(6-21)8-25-18)22-9-13( 14)17(28)23-10-15(20)19(3 ,4)29/h5,7-9,11,15,29H,10 H2,1-4H3,(H,23,28)(H2,22, 24,25,26,27)/t15-/m1/s1; UFIWUTUQZFYHKK-OAHLLOKOSA-N |
CC(C)Nc1cc(ncc1C(=O)NC[C@H](C(C)(C)O)F)N c2ncc(cn2)C#N; CC(C)Nc1cc(Nc2ncc(cn2)C#N )ncc1C(=O)NC[C@@H](F)C(C)(C)O; CC(C)Nc1c c(Nc2ncc(cn2)C#N)ncc1C(=O)NC[CH](F)C(C)( C)O; CC(C)Nc1cc(ncc1C(=O)NCC(C(C)(C)O)F) Nc2ncc(cn2)C#N; CC(C)(O)C(F)CNC(=O)c1cnc (Nc2ncc(cn2)C#N)cc1NC(C)C |
6-[(5-cyanopyrimidin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(propan-2-yl)amino]pyridine-3-carboxamide |
| 49655 | ZVH | 1 | C10 H12 O2 S | InChI=1S/C10H12O2S/c11-10 (12)9-3-1-2-8(9)7-4-5-13- 6-7/h4-6,8-9H,1-3H2,(H,11 ,12)/t8-,9-/m0/s1; GTNCFHPRVUWUBC-IUCAKERBSA-N |
c1cscc1C2CCCC2C(=O)O; OC(=O)[C@H]1CCC[C@ H]1c2cscc2; O=C(O)C1CCCC1c1ccsc1; OC(=O) [CH]1CCC[CH]1c2cscc2; c1cscc1[C@@H]2CCC[ C@@H]2C(=O)O |
(1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
| 49656 | ZVJ CHEMBL389390 ZINC000000057321 |
1 | C17 H21 N O4 | InChI=1S/C17H21NO4/c1-11( 6-12-2-4-14(19)5-3-12)18- 10-17(22)13-7-15(20)9-16( 21)8-13/h2-5,7-9,11,17-22 H,6,10H2,1H3/t11-,17+/m0/ s1; LSLYOANBFKQKPT-APPDUMDISA-N |
CC(Cc1ccc(cc1)O)NCC(c2cc(cc(c2)O)O)O; C[ C@@H](Cc1ccc(cc1)O)NC[C@H](c2cc(cc(c2)O) O)O; C[CH](Cc1ccc(O)cc1)NC[CH](O)c2cc(O) cc(O)c2; Oc1cc(cc(O)c1)C(O)CNC(C)Cc1ccc( O)cc1; C[C@@H](Cc1ccc(O)cc1)NC[C@@H](O)c 2cc(O)cc(O)c2 |
Fenoterol |
| 49657 | ZVK | 0 | C12 H18 N2 S | InChI=1S/C12H18N2S/c1-4-1 0-6-8-11(9-7-10)14-12(13- 3)15-5-2/h6-9H,4-5H2,1-3H 3,(H,13,14); ZUMALHSBJIUQMI-UHFFFAOYSA-N |
CCSC(NC)=Nc1ccc(CC)cc1; CNC(/SCC)=N/c1cc c(cc1)CC; CCc1ccc(cc1)N=C(NC)SCC; CCc1cc c(cc1)/N=C(/NC)\SCC |
ethyl N'-(4-ethylphenyl)-N-methylcarbamimidothioate |
| 49658 | ZVM | 1 | C22 H21 N3 O2 | InChI=1S/C22H21N3O2/c1-24 -17-13-6-5-12-16(17)19(26 )18-21(24)23-20(14-8-7-9- 14)25(22(18)27)15-10-3-2- 4-11-15/h2-6,10-14,18,20H ,7-9H2,1H3/t18?,20-/m0/s1; HIWASGKNWCATJA-IJHRGXPZSA-N |
O=C1C2C(=O)c3ccccc3N(C)C2=NC(C2CCC2)N1c1 ccccc1; CN1c2ccccc2C(=O)C3C1=NC(N(C3=O)c 4ccccc4)C5CCC5; CN1c2ccccc2C(=O)[CH]3C(= O)N([CH](N=C13)C4CCC4)c5ccccc5; CN1c2ccc cc2C(=O)[C@H]3C(=O)N([C@H](N=C13)C4CCC4) c5ccccc5 |
(2S,4aS)-2-cyclobutyl-10-methyl-3-phenyl-2,10-dihydropyrimido[4,5-b]quinoline-4,5(3H,4aH)-dione |
| 49659 | ZVN CHEMBL1702558 ZINC000000242024 |
1 | C11 H13 N3 S | InChI=1S/C11H13N3S/c1-2-4 -10-9(3-1)13-11(15-10)14- 7-5-12-6-8-14/h1-4,12H,5- 8H2; LLQMZXMBCQNMJV-UHFFFAOYSA-N |
c1ccc2c(c1)nc(s2)N3CCNCC3; c1cccc2sc(nc1 2)N1CCNCC1; C1CN(CCN1)c2sc3ccccc3n2 |
2-(piperazin-1-yl)-1,3-benzothiazole |
| 49660 | ZVO CHEMBL5409800 ZINC000584905718 |
1 | C8 H8 N6 | InChI=1S/C8H8N6/c1-14-8-5 -4(6(9)13-14)2-10-7(5)11- 3-12-8/h2-3H,1H3,(H2,9,13 )(H,10,11,12); AJJBAXSCYXENBJ-UHFFFAOYSA-N |
CN1N=C(N)c2c[nH]c3ncnc1c23; CN1c2c3c(c[n H]c3ncn2)C(=N1)N |
5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine |
| 49661 | ZVP | 2 | C26 H24 N4 O5 S | InChI=1S/C26H24N4O5S/c31- 20-12-22(30-6-4-27-5-7-30 )35-24-19(15-36-25(20)24) 17-10-18(23-21(11-17)33-8 -9-34-23)26(32)29-14-16-2 -1-3-28-13-16/h1-3,10-13, 15,27H,4-9,14H2,(H,29,32); AECKABHTJWABMG-UHFFFAOYSA-N |
c1cc(cnc1)CNC(=O)c2cc(cc3c2OCCO3)c4csc5c 4OC(=CC5=O)N6CCNCC6; C6Oc1c(cc(cc1C(NCc2 cnccc2)=O)c5c4c(C(C=C(N3CCNCC3)O4)=O)sc5 )OC6; O=C(NCc1cccnc1)c2cc(cc3OCCOc23)c4c sc5C(=O)C=C(Oc45)N6CCNCC6 |
7-[7-oxo-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide |
| 49662 | ZVR CHEMBL5408906 |
6 | C21 H22 F N5 O6 | InChI=1S/C21H22FN5O6/c22- 13-10-11(2-1-8-27-9-7-14- 17(27)19(31)26-21(23)25-1 4)3-4-12(13)18(30)24-15(2 0(32)33)5-6-16(28)29/h3-4 ,7,9-10,15H,1-2,5-6,8H2,( H,24,30)(H,28,29)(H,32,33 )(H3,23,25,26,31)/t15-/m0 /s1; VOXSIQHYUGLGIP-HNNXBMFYSA-N |
NC1=Nc2ccn(CCCc3ccc(c(F)c3)C(=O)N[CH](CC C(O)=O)C(O)=O)c2C(=O)N1; O=C(O)C(CCC(=O) O)NC(=O)c1ccc(cc1F)CCCn1ccc2N=C(N)NC(=O) c21; c1cc(c(cc1CCCn2ccc3c2C(=O)NC(=N3)N) F)C(=O)NC(CCC(=O)O)C(=O)O; c1cc(c(cc1CCC n2ccc3c2C(=O)NC(=N3)N)F)C(=O)N[C@@H](CCC (=O)O)C(=O)O; NC1=Nc2ccn(CCCc3ccc(c(F)c3 )C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2C(=O)N1 |
N-{4-[3-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)propyl]-2-fluorobenzoyl}-L-glutamic acid |
| 49663 | ZVS ZINC000015001346 |
1 | C21 H20 F4 N4 O2 S | InChI=1S/C21H20F4N4O2S/c1 -13(26-19(30)16-5-3-4-6-1 7(16)21(23,24)25)18-27-28 -20(29(18)2)32-12-11-31-1 5-9-7-14(22)8-10-15/h3-10 ,13H,11-12H2,1-2H3,(H,26, 30)/t13-/m0/s1; MFAPRDBSWRWQBP-ZDUSSCGKSA-N |
C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc 3ccc(F)cc3)n2C; C[C@H](NC(=O)c1ccccc1C(F )(F)F)c2nnc(SCCOc3ccc(F)cc3)n2C; C[C@@H] (c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccccc 3C(F)(F)F; FC(F)(F)c1ccccc1C(=O)NC(c3nnc (SCCOc2ccc(F)cc2)n3C)C; CC(c1nnc(n1C)SCC Oc2ccc(cc2)F)NC(=O)c3ccccc3C(F)(F)F |
N-[1-(5-{[2-(4-FLUOROPHENOXY)ETHYL]SULFANYL}-4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ETHYL]-2-(TRIFLUOROMETHYL)BENZAMIDE |
| 49664 | ZVT ZINC000095920543 |
2 | C20 H20 Cl F N4 O2 S | InChI=1S/C20H20ClFN4O2S/c 1-13(23-19(27)16-5-3-4-6- 17(16)21)18-24-25-20(26(1 8)2)29-12-11-28-15-9-7-14 (22)8-10-15/h3-10,13H,11- 12H2,1-2H3,(H,23,27)/t13- /m0/s1; AJRDSERGUKXARL-ZDUSSCGKSA-N |
CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3ccc cc3Cl; Clc1ccccc1C(=O)NC(c3nnc(SCCOc2ccc (F)cc2)n3C)C; C[C@@H](c1nnc(n1C)SCCOc2cc c(cc2)F)NC(=O)c3ccccc3Cl; C[CH](NC(=O)c1 ccccc1Cl)c2nnc(SCCOc3ccc(F)cc3)n2C; C[C@ H](NC(=O)c1ccccc1Cl)c2nnc(SCCOc3ccc(F)cc 3)n2C |
2-chloro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide |
| 49665 | ZVU ZINC000095920541 |
2 | C20 H18 F4 N4 O S | InChI=1S/C20H18F4N4OS/c1- 12(25-18(29)15-5-3-4-6-16 (15)20(22,23)24)17-26-27- 19(28(17)2)30-11-13-7-9-1 4(21)10-8-13/h3-10,12H,11 H2,1-2H3,(H,25,29)/t12-/m 0/s1; WAMHSAKMZVUOGV-LBPRGKRZSA-N |
CC(c1nnc(n1C)SCc2ccc(cc2)F)NC(=O)c3ccccc 3C(F)(F)F; C[C@@H](c1nnc(n1C)SCc2ccc(cc2 )F)NC(=O)c3ccccc3C(F)(F)F; C[CH](NC(=O)c 1ccccc1C(F)(F)F)c2nnc(SCc3ccc(F)cc3)n2C; C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCc 3ccc(F)cc3)n2C; FC(F)(F)c1ccccc1C(=O)NC( c3nnc(SCc2ccc(F)cc2)n3C)C |
N-[1-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide |
| 49666 | ZVV ZINC000095921162 |
2 | C22 H23 F3 N4 O2 S | InChI=1S/C22H23F3N4O2S/c1 -14-8-4-7-11-18(14)31-12- 13-32-21-28-27-19(29(21)3 )15(2)26-20(30)16-9-5-6-1 0-17(16)22(23,24)25/h4-11 ,15H,12-13H2,1-3H3,(H,26, 30)/t15-/m0/s1; AERPCBWEQRGXHO-HNNXBMFYSA-N |
C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc 3ccccc3C)n2C; Cc1ccccc1OCCSc2nnc(n2C)C(C )NC(=O)c3ccccc3C(F)(F)F; FC(F)(F)c1ccccc 1C(=O)NC(c3nnc(SCCOc2ccccc2C)n3C)C; Cc1c cccc1OCCSc2nnc(n2C)[C@H](C)NC(=O)c3ccccc 3C(F)(F)F; C[C@H](NC(=O)c1ccccc1C(F)(F)F )c2nnc(SCCOc3ccccc3C)n2C |
N-[1-(4-methyl-5-{[2-(2-methylphenoxy)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide |
| 49667 | ZVW ZINC000098209682 |
2 | C27 H23 F5 N4 O2 S | InChI=1S/C27H23F5N4O2S/c1 -17(33-25(37)22-4-2-3-5-2 3(22)27(30,31)32)24-34-35 -26(36(24)16-18-6-8-19(28 )9-7-18)39-15-14-38-21-12 -10-20(29)11-13-21/h2-13, 17H,14-16H2,1H3,(H,33,37) /t17-/m0/s1; SZVUNXFRJYHQBI-KRWDZBQOSA-N |
C[CH](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCOc 3ccc(F)cc3)n2Cc4ccc(F)cc4; CC(c1nnc(n1Cc 2ccc(cc2)F)SCCOc3ccc(cc3)F)NC(=O)c4ccccc 4C(F)(F)F; C[C@@H](c1nnc(n1Cc2ccc(cc2)F) SCCOc3ccc(cc3)F)NC(=O)c4ccccc4C(F)(F)F; C[C@H](NC(=O)c1ccccc1C(F)(F)F)c2nnc(SCCO c3ccc(F)cc3)n2Cc4ccc(F)cc4; FC(F)(F)c1cc ccc1C(=O)NC(c3nnc(SCCOc2ccc(F)cc2)n3Cc4c cc(F)cc4)C |
N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethyl)benzamide |
| 49668 | ZVX ZINC000095920542 |
2 | C20 H19 F3 N4 O2 S | InChI=1S/C20H19F3N4O2S/c1 -12(24-19(28)17-15(22)4-3 -5-16(17)23)18-25-26-20(2 7(18)2)30-11-10-29-14-8-6 -13(21)7-9-14/h3-9,12H,10 -11H2,1-2H3,(H,24,28)/t12 -/m0/s1; OUIZIUPLGXONEI-LBPRGKRZSA-N |
CC(c1nnc(n1C)SCCOc2ccc(cc2)F)NC(=O)c3c(c ccc3F)F; C[C@H](NC(=O)c1c(F)cccc1F)c2nnc (SCCOc3ccc(F)cc3)n2C; C[C@@H](c1nnc(n1C) SCCOc2ccc(cc2)F)NC(=O)c3c(cccc3F)F; C[CH ](NC(=O)c1c(F)cccc1F)c2nnc(SCCOc3ccc(F)c c3)n2C; Fc1cccc(F)c1C(=O)NC(c3nnc(SCCOc2 ccc(F)cc2)n3C)C |
2,6-difluoro-N-[1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide |
| 49669 | ZVY ZINC000095920926 |
2 | C25 H24 N4 O3 | InChI=1S/C25H24N4O3/c26-1 6-19-4-6-20(7-5-19)23-9-8 -22(32-18-25(30)31)15-21( 23)17-28-11-13-29(14-12-2 8)24-3-1-2-10-27-24/h1-10 ,15H,11-14,17-18H2,(H,30, 31); AKNGILSRJWORBU-UHFFFAOYSA-N |
O=C(O)COc2cc(c(c1ccc(C#N)cc1)cc2)CN4CCN( c3ncccc3)CC4; c1ccnc(c1)N2CCN(CC2)Cc3cc( ccc3c4ccc(cc4)C#N)OCC(=O)O; OC(=O)COc1cc c(c(CN2CCN(CC2)c3ccccn3)c1)c4ccc(cc4)C#N |
2-[4-(4-cyanophenyl)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenoxy]acetic acid |
| 49670 | ZVZ ZINC000095921404 |
2 | C26 H27 N5 O2 | InChI=1S/C26H27N5O2/c1-28 -26(32)19-33-23-9-10-24(2 1-7-5-20(17-27)6-8-21)22( 16-23)18-30-12-14-31(15-1 3-30)25-4-2-3-11-29-25/h2 -11,16H,12-15,18-19H2,1H3 ,(H,28,32); MATAFJDAEJJYTE-UHFFFAOYSA-N |
CNC(=O)COc1ccc(c(c1)CN2CCN(CC2)c3ccccn3) c4ccc(cc4)C#N; CNC(=O)COc1ccc(c(CN2CCN(C C2)c3ccccn3)c1)c4ccc(cc4)C#N; N#Cc4ccc(c 1c(cc(OCC(=O)NC)cc1)CN3CCN(c2ncccc2)CC3) cc4 |
2-[4-(4-CYANOPHENYL)-3-{[4-(PYRIDIN-2-YL)PIPERAZIN-1-YL]METHYL}PHENOXY]-N-METHYLACETAMIDE |
| 49671 | ZW0 | 1 | C23 H31 N5 O7 S | InChI=1S/C23H31N5O7S/c29- 22(30)20-6-1-4-18(24-20)1 6-27-11-9-26(8-3-15-36(33 ,34)35)10-12-28(14-13-27) 17-19-5-2-7-21(25-19)23(3 1)32/h1-2,4-7H,3,8-17H2,( H,29,30)(H,31,32)(H,33,34 ,35); YYZIWWSBAADROW-UHFFFAOYSA-N |
OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN( CC2)Cc3cccc(n3)C(O)=O)n1; c1cc(nc(c1)C(= O)O)CN2CCN(CCN(CC2)Cc3cccc(n3)C(=O)O)CCC S(=O)(=O)O |
6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid |
| 49672 | ZW2 CHEMBL4172336 |
2 | C13 H10 N2 O3 S | InChI=1S/C13H10N2O3S/c16- 12-10-7-9(6-8-4-2-1-3-5-8 )19-11(10)14-13(17)15(12) 18/h1-5,7,18H,6H2,(H,14,1 7); BATRIMGMBZXTOT-UHFFFAOYSA-N |
C1(=O)N(C(=O)Nc2c1cc(s2)Cc3ccccc3)O; ON1 C(=O)Nc2sc(Cc3ccccc3)cc2C1=O; c1ccc(cc1) Cc2cc3c(s2)NC(=O)N(C3=O)O |
6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| 49673 | ZW3 CHEMBL1914475 ZINC000073162622 |
1 | C13 H10 N4 O3 S | InChI=1S/C13H10N4O3S/c1-7 (18)14-10-6-17-5-8(2-3-11 (17)15-10)4-9-12(19)16-13 (20)21-9/h2-6H,1H3,(H,14, 18)(H,16,19,20)/b9-4-; CCECKHDWHUIQQG-WTKPLQERSA-N |
CC(=O)Nc1cn2cc(ccc2n1)C=C3SC(=O)NC3=O; C C(=O)Nc1cn2cc(ccc2n1)\C=C3/SC(=O)NC3=O; CC(=O)Nc1cn2cc(ccc2n1)C=C3C(=O)NC(=O)S3; CC(=O)Nc1cn2cc(ccc2n1)/C=C\3/C(=O)NC(=O )S3; O=C1C(\SC(=O)N1)=C\c3ccc2nc(NC(=O)C )cn2c3 |
N-{6-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]imidazo[1,2-a]pyridin-2-yl}acetamide |
| 49674 | ZW4 | 2 | C23 H27 Cl2 F N4 O3 S | InChI=1S/C23H27Cl2FN4O3S/ c1-28(2)12-16-13-30(14-16 )34(26,32)27-18-10-19(24) 22(20(25)11-18)23(31)29-8 -9-33-21(15-29)17-6-4-3-5 -7-17/h3-7,10-11,16,21H,8 -9,12-15H2,1-2H3/t21-,34- /m1/s1; CSVDOHTVDZZGEP-JTMIDMFHSA-N |
CN(C)CC1CN(C1)[S@@](=Nc2cc(c(c(c2)Cl)C(= O)N3CCO[C@H](C3)c4ccccc4)Cl)(=O)F; CN(C) CC1CN(C1)[S](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C (=O)N3CCO[CH](C3)c4ccccc4; CN(C)CC1CN(C1 )[S@](F)(=O)=Nc2cc(Cl)c(c(Cl)c2)C(=O)N3C CO[C@H](C3)c4ccccc4; O=C(N1CC(OCC1)c1ccc cc1)c1c(Cl)cc(N=S(F)(=O)N2CC(CN(C)C)C2)c c1Cl; CN(C)CC1CN(C1)S(=Nc2cc(c(c(c2)Cl)C (=O)N3CCOC(C3)c4ccccc4)Cl)(=O)F |
(S~1~S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-[(dimethylamino)methyl]azetidine-1-sulfonimidoyl fluoride |
| 49675 | ZW5 ZINC000019230012 |
1 | C12 H17 F N2 O | InChI=1S/C12H17FN2O/c1-16 -12-3-2-10(8-11(12)13)9-1 5-6-4-14-5-7-15/h2-3,8,14 H,4-7,9H2,1H3; DOHKJEHZIZZYLD-UHFFFAOYSA-N |
COc1ccc(CN2CCNCC2)cc1F; COc1ccc(cc1F)CN1 CCNCC1; COc1ccc(cc1F)CN2CCNCC2 |
1-[(3-fluoro-4-methoxyphenyl)methyl]piperazine |
| 49676 | ZW7 CHEMBL5412456 |
2 | C29 H24 F6 N2 O3 | InChI=1S/C29H24F6N2O3/c30 -28(31,32)18-10-8-16(9-11 -18)20-6-1-2-7-21(20)26(3 9)36-25(17-4-3-5-19(12-17 )29(33,34)35)27(40)37-13- 22-23(14-37)24(22)15-38/h 1-12,22-25,38H,13-15H2,(H ,36,39)/t22-,23+,24+,25-/ m0/s1; LLNURPOWMDHYAG-LIONHTAISA-N |
OCC1[C@@H]2CN(C[C@H]12)C(=O)[C@@H](NC(=O )c3ccccc3c4ccc(cc4)C(F)(F)F)c5cccc(c5)C( F)(F)F; O=C(C(NC(=O)c1ccccc1c1ccc(cc1)C( F)(F)F)c1cccc(c1)C(F)(F)F)N1CC2C(CO)C2C1 ; c1ccc(c(c1)c2ccc(cc2)C(F)(F)F)C(=O)N[C @@H](c3cccc(c3)C(F)(F)F)C(=O)N4C[C@@H]5[ C@H](C4)C5CO; OCC1[CH]2CN(C[CH]12)C(=O)[ CH](NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F)c5c ccc(c5)C(F)(F)F; c1ccc(c(c1)c2ccc(cc2)C( F)(F)F)C(=O)NC(c3cccc(c3)C(F)(F)F)C(=O)N 4CC5C(C4)C5CO |
N-{(1S)-2-[(1R,5S,6S)-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide |
| 49677 | ZWA CHEMBL5430627 |
2 | C29 H27 F6 N3 O2 | InChI=1S/C29H27F6N3O2/c1- 37(2)27(40)25(20-6-5-7-22 (14-20)38-16-18(17-38)15- 28(30,31)32)36-26(39)24-9 -4-3-8-23(24)19-10-12-21( 13-11-19)29(33,34)35/h3-1 4,18,25H,15-17H2,1-2H3,(H ,36,39)/t25-/m0/s1; DGNFHHFZLNEVEL-VWLOTQADSA-N |
CN(C)C(=O)C(c1cccc(c1)N2CC(C2)CC(F)(F)F) NC(=O)c3ccccc3c4ccc(cc4)C(F)(F)F; CN(C)C (=O)[CH](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F) F)c3cccc(c3)N4CC(C4)CC(F)(F)F; CN(C)C(=O )[C@@H](NC(=O)c1ccccc1c2ccc(cc2)C(F)(F)F )c3cccc(c3)N4CC(C4)CC(F)(F)F; CN(C)C(=O) [C@H](c1cccc(c1)N2CC(C2)CC(F)(F)F)NC(=O) c3ccccc3c4ccc(cc4)C(F)(F)F; FC(F)(F)c1cc c(cc1)c1ccccc1C(=O)NC(c1cccc(c1)N1CC(C1) CC(F)(F)F)C(=O)N(C)C |
N-[(1S)-2-(dimethylamino)-2-oxo-1-{3-[3-(2,2,2-trifluoroethyl)azetidin-1-yl]phenyl}ethyl]-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide |
| 49678 | ZWB | 2 | C20 H30 Br N O4 | InChI=1S/C20H30BrNO4/c1-1 0-13(6-15(24)12-5-17(25)2 2-18(12)26)20(4)9-11(21)8 -19(2,3)16(20)7-14(10)23/ h11-16,23-24H,1,5-9H2,2-4 H3,(H,22,25,26)/t11-,12+, 13-,14-,15-,16-,20+/m0/s1; KFLGGORBXJSMNM-LWHFJPTFSA-N |
C[C@]12C[C@H](CC([C@@H]1C[C@@H](C(=C)[C@ @H]2C[C@@H]([C@H]3CC(=O)NC3=O)O)O)(C)C)B r; CC1(C)C[CH](Br)C[C]2(C)[CH](C[CH](O)[ CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12; CC1 (C)C[C@H](Br)C[C@]2(C)[C@@H](C[C@H](O)[C @H]3CC(=O)NC3=O)C(=C)[C@@H](O)C[C@@H]12; CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O )O)O)C)Br)C |
(3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},7~{S},8~{a}~{S})-7-bromanyl-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
| 49679 | ZWD CHEMBL463 DB00345 ZINC000000119344 |
1 | C9 H10 N2 O3 | InChI=1S/C9H10N2O3/c10-7- 3-1-6(2-4-7)9(14)11-5-8(1 2)13/h1-4H,5,10H2,(H,11,1 4)(H,12,13); HSMNQINEKMPTIC-UHFFFAOYSA-N |
Nc1ccc(cc1)C(=O)NCC(O)=O; O=C(NCC(=O)O)c 1ccc(N)cc1; c1cc(ccc1C(=O)NCC(=O)O)N |
N-(4-aminobenzoyl)glycine; Para-aminohippuric acid |
| 49680 | ZWE CHEMBL5421037 DB21752 |
4 | C16 H12 F5 N5 O2 | InChI=1S/C16H12F5N5O2/c1- 6-9-2-7(17)3-10(18)12(9)2 8-11(6)13(16(19,20)21)26- 15(27)25-8-4-23-14(22)24- 5-8/h2-5,13H,1H3,(H2,22,2 3,24)(H2,25,26,27)/t13-/m 1/s1; LGPNQALKGDDVBD-CYBMUJFWSA-N |
Cc1c2cc(cc(c2oc1C(C(F)(F)F)NC(=O)Nc3cnc( nc3)N)F)F; Cc1c(oc2c(F)cc(F)cc12)[C@@H]( NC(=O)Nc3cnc(N)nc3)C(F)(F)F; Cc1c(oc2c(F )cc(F)cc12)[CH](NC(=O)Nc3cnc(N)nc3)C(F)( F)F; Cc1c2cc(cc(c2oc1[C@H](C(F)(F)F)NC(= O)Nc3cnc(nc3)N)F)F; Nc1ncc(cn1)NC(=O)NC( c1oc2c(F)cc(F)cc2c1C)C(F)(F)F |
N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea |
| 49681 | ZWG CHEMBL5595104 |
1 | C19 H22 N4 O | InChI=1S/C19H22N4O/c1-12( 2)11-17(20)19(24)23-14-5- 3-13(4-6-14)15-7-9-21-18- 16(15)8-10-22-18/h3-10,12 ,17H,11,20H2,1-2H3,(H,21, 22)(H,23,24)/t17-/m1/s1; DQDRFKODMABANK-QGZVFWFLSA-N |
CC(C)CC(C(=O)Nc1ccc(cc1)c2ccnc3c2cc[nH]3 )N; CC(C)C[C@@H](N)C(=O)Nc1ccc(cc1)c2ccn c3[nH]ccc23; CC(C)CC(N)C(=O)Nc1ccc(cc1)c 1ccnc2[NH]ccc12; CC(C)C[C@H](C(=O)Nc1ccc (cc1)c2ccnc3c2cc[nH]3)N; CC(C)C[CH](N)C( =O)Nc1ccc(cc1)c2ccnc3[nH]ccc23 |
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-D-leucinamide |
| 49682 | ZWH | 1 | C23 H28 N2 O10 Ru2 | InChI=1S/C13H12N2.2C4H6O4 .C2H4O2.2Ru/c1-3-7-12(8-4 -1)14-11-15-13-9-5-2-6-10 -13;2*5-3(6)1-2-4(7)8;1-2 (3)4;;/h1-10H,11H2;2*3H,1 -2H2,(H,7,8);2H,1H3;;/q4* -2;2*+4; GPMJGBXYFGQHON-UHFFFAOYSA-N |
C[CH]1O[Ru]23O[CH](CCC(O)=O)O[Ru](O1)(O[ CH](CCC(O)=O)O2)N(CN3c4ccccc4)c5ccccc5; C[C@H]1O[Ru]23O[C@H](CCC(O)=O)O[Ru](O1)( O[C@@H](CCC(O)=O)O2)N(CN3c4ccccc4)c5cccc c5; CC1O[Ru]234N(CN([Ru]2(O1)(OC(O3)CCC( =O)O)OC(O4)CCC(=O)O)c5ccccc5)c6ccccc6 |
[Ru2Cl(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol)(succinic acid)2] |
| 49683 | ZWI CHEMBL1213508 |
4 | C15 H33 N O3 S | InChI=1S/C15H33NO3S/c1-4- 5-6-7-8-9-10-11-13-16(2,3 )14-12-15-20(17,18)19/h4- 15H2,1-3H3; WKALLSVICJPZTM-UHFFFAOYSA-N |
CCCCCCCCCC[N+](C)(C)CCC[S]([O-])(=O)=O; [O-]S(=O)(=O)CCC[N+](C)(CCCCCCCCCC)C; CC CCCCCCCC[N+](C)(C)CCCS(=O)(=O)[O-] |
3-[decyl(dimethyl)ammonio]propane-1-sulfonate |
| 49684 | ZWK CHEMBL5431053 |
4 | C20 H21 N5 O | InChI=1S/C20H21N5O/c1-14- 4-2-3-5-17(14)20(26)25-10 -8-24(9-11-25)16-6-7-18-1 5(12-16)13-22-23-19(18)21 /h2-7,12-13H,8-11H2,1H3,( H2,21,23); COJCNHAXOZJCNU-UHFFFAOYSA-N |
Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(N)nncc4c 3; Cc1ccccc1C(=O)N2CCN(CC2)c3ccc4c(c3)cn nc4N; O=C(c1ccccc1C)N1CCN(CC1)c1cc2cnnc( N)c2cc1 |
[4-(1-aminophthalazin-6-yl)piperazin-1-yl](2-methylphenyl)methanone |
| 49685 | ZWL | 1 | C15 H14 N2 O5 Ru2 | InChI=1S/C13H12N2.CH2O3.C H2O2.2Ru/c1-3-7-12(8-4-1) 14-11-15-13-9-5-2-6-10-13 ;2-1(3)4;2-1-3;;/h1-10H,1 1H2;(H2,2,3,4);1H2;;/q-2; ;-2;2*+3/p-2; BRHWNNYPQHZNLT-UHFFFAOYSA-L |
O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5c cccc5; c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)O C(=O)O4)c5ccccc5; O=C1O[Ru@]23OCO[Ru@@]2 (O1)N(CN3c4ccccc4)c5ccccc5 |
[Ru2(DPhF)(Formate)(CO3)] |
| 49686 | ZWN CHEMBL451532 DB16859 ZINC000008143604 |
2 | C27 H32 O14 | InChI=1S/C27H32O14/c1-10- 20(32)22(34)24(36)26(37-1 0)41-25-23(35)21(33)18(9- 28)40-27(25)38-13-6-14(30 )19-15(31)8-16(39-17(19)7 -13)11-2-4-12(29)5-3-11/h 2-7,10,16,18,20-30,32-36H ,8-9H2,1H3/t10-,16-,18+,2 0-,21+,22+,23-,24+,25+,26 -,27+/m0/s1; DFPMSGMNTNDNHN-ZPHOTFPESA-N |
CC1C(C(C(C(O1)OC2C(C(C(OC2Oc3cc(c4c(c3)O C(CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O; C[CH ]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH ]2Oc3cc(O)c4C(=O)C[CH](Oc4c3)c5ccc(O)cc5 )[CH](O)[CH](O)[CH]1O; C[C@@H]1O[C@@H](O [C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H] 2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5 )[C@H](O)[C@H](O)[C@H]1O; Oc1ccc(cc1)C1C C(=O)c2c(O)cc(cc2O1)OC1OC(CO)C(O)C(O)C1O C1OC(C)C(O)C(O)C1O; C[C@H]1[C@@H]([C@H]( [C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@ H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5c cc(cc5)O)O)CO)O)O)O)O)O |
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside; Naringin |
| 49687 | ZWO | 1 | C16 H12 N2 O9 Ru2 | InChI=1S/C13H12N2.3CH2O3. 2Ru/c1-3-7-12(8-4-1)14-11 -15-13-9-5-2-6-10-13;3*2- 1(3)4;;/h1-10H,11H2;3*(H2 ,2,3,4);;/q-2;;;;2*+4/p-6; TZCHHEUOTVFLIC-UHFFFAOYSA-H |
c1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC (=O)O4)OC(=O)O5)c6ccccc6; O=C1O[Ru]23OC( =O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5cc ccc5 |
Ru2(DPhF)(CO3)3 |
| 49688 | ZWP | 1 | C21 H21 N3 O | InChI=1S/C21H21N3O/c1-4-2 1(2,3)19-16(15-8-5-6-9-17 (15)23-19)12-14-13-24-11- 7-10-18(24)20(25)22-14/h4 -9,11,13,23H,1,10,12H2,2- 3H3; DUPBTPHDPVCZPP-UHFFFAOYSA-N |
CC(C)(C=C)c1[nH]c2ccccc2c1Cc3c[n+]4C=CCc 4c([O-])n3; c1cccc4c1c(Cc2c[n+]3c(c(n2)[ O-])CC=C3)c(C(C)(C)\C=C)n4; CC(C)(C=C)c1 c(c2ccccc2[nH]1)Cc3c[n+]4c(c(n3)[O-])CC= C4 |
3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-8H-pyrrolo[1,2-a]pyrazin-5-ium-1-olate |
| 49689 | ZWS CHEMBL5566038 |
2 | C23 H29 N3 O7 | InChI=1S/C23H29N3O7/c1-4- 15(2)18-11-16-7-8-24(23(3 1)33-10-9-32-3)13-19(16)2 6(22(18)30)17-5-6-20(27)2 5(12-17)14-21(28)29/h5-6, 11-12,15H,4,7-10,13-14H2, 1-3H3,(H,28,29)/t15-/m1/s 1; XFTKAVIYFGOXSI-OAHLLOKOSA-N |
CCC(C)C1=CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O) C3=CN(C(=O)C=C3)CC(=O)O; CC[C@@H](C)C1=C C2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(C(=O )C=C3)CC(=O)O; CC[C@@H](C)C1=CC2=C(CN(CC 2)C(=O)OCCOC)N(C1=O)C3=CN(CC(O)=O)C(=O)C =C3; O=C(O)CN1C=C(C=CC1=O)N1C(=O)C(=CC=2 CCN(CC1=2)C(=O)OCCOC)C(C)CC; CC[CH](C)C1 =CC2=C(CN(CC2)C(=O)OCCOC)N(C1=O)C3=CN(CC (O)=O)C(=O)C=C3 |
[(5P)-5-{3-[(2R)-butan-2-yl]-7-[(2-methoxyethoxy)carbonyl]-2-oxo-5,6,7,8-tetrahydro-1,7-naphthyridin-1(2H)-yl}-2-oxopyridin-1(2H)-yl]acetic acid |
| 49690 | ZWV CHEMBL5435264 |
4 | C28 H42 N8 O3 | InChI=1S/C28H42N8O3/c1-3- 4-21(7-12-37)32-27-26-23( 33-28(29)34-27)17-31-36(2 6)18-24-25(38-2)15-20(16- 30-24)19-5-10-35(11-6-19) 22-8-13-39-14-9-22/h15-17 ,19,21-22,37H,3-14,18H2,1 -2H3,(H3,29,32,33,34)/t21 -/m0/s1; RZRJLAWKPZNKQG-NRFANRHFSA-N |
CCCC(CCO)Nc1c2c(cnn2Cc3c(cc(cn3)C4CCN(CC 4)C5CCOCC5)OC)nc(n1)N; CCC[C@@H](CCO)Nc1 nc(N)nc2cnn(Cc3ncc(cc3OC)C4CCN(CC4)C5CCO CC5)c12; CCC[C@@H](CCO)Nc1c2c(cnn2Cc3c(c c(cn3)C4CCN(CC4)C5CCOCC5)OC)nc(n1)N; CCC [CH](CCO)Nc1nc(N)nc2cnn(Cc3ncc(cc3OC)C4C CN(CC4)C5CCOCC5)c12; CCCC(CCO)Nc1nc(N)nc 2cnn(Cc3ncc(cc3OC)C3CCN(CC3)C3CCOCC3)c12 |
(3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol |
| 49691 | ZWW | 2 | C50 H57 N5 O20 | InChI=1S/C50H57N5O20/c1-2 2-28(12-46(66)67)24(3-8-4 2(58)59)34(52-22)18-38-31 (15-49(72)73)26(5-10-44(6 2)63)36(54-38)20-40-32(16 -50(74)75)27(6-11-45(64)6 5)37(55-40)19-39-30(14-48 (70)71)25(4-9-43(60)61)35 (53-39)17-33-29(13-47(68) 69)23(21-51-33)2-7-41(56) 57/h21,51-55H,2-20H2,1H3, (H,56,57)(H,58,59)(H,60,6 1)(H,62,63)(H,64,65)(H,66 ,67)(H,68,69)(H,70,71)(H, 72,73)(H,74,75); HFYKODBGFFMGCY-UHFFFAOYSA-N |
Cc1c(c(c([nH]1)Cc2c(c(c([nH]2)Cc3c(c(c([ nH]3)Cc4c(c(c([nH]4)Cc5c(c(c[nH]5)CCC(=O )O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC( =O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O; Cc1[nH]c(Cc2[nH]c(Cc3[nH]c(Cc4[nH]c(Cc5[ nH]cc(CCC(O)=O)c5CC(O)=O)c(CCC(O)=O)c4CC (O)=O)c(CCC(O)=O)c3CC(O)=O)c(CCC(O)=O)c2 CC(O)=O)c(CCC(O)=O)c1CC(O)=O |
3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid |
| 49692 | ZWY CHEMBL259898 DB05804 ZINC000004096458 |
35 | C19 H28 O5 S | InChI=1S/C19H28O5S/c1-18- 9-7-13(24-25(21,22)23)11- 12(18)3-4-14-15-5-6-17(20 )19(15,2)10-8-16(14)18/h3 ,13-16H,4-11H2,1-2H3,(H,2 1,22,23)/t13-,14-,15-,16- ,18-,19-/m0/s1; CZWCKYRVOZZJNM-USOAJAOKSA-N |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@] 34C)O[S](O)(=O)=O)[C@@H]1CCC2=O; C[C@]12 CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3( CC[C@@H](C4)OS(=O)(=O)O)C; C[C]12CC[CH]3 [CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[ CH]1CCC2=O; CC12CCC3C(C1CCC2=O)CC=C4C3(C CC(C4)OS(=O)(=O)O)C; O=S(=O)(O)OC1CCC2(C )C3CCC4(C)C(CCC4=O)C3CC=C2C1 |
17-oxoandrost-5-en-3beta-yl hydrogen sulfate; Dehydroepiandrosterone sulfate; DHEA sulfate; DHEA-S |
| 49693 | ZWZ | 2 | C7 H16 N2 O3 | InChI=1S/C7H16N2O3/c1-3-5 (10)7(12)6(11)4(2-8)9-3/h 3-7,9-12H,2,8H2,1H3/t3-,4 +,5+,6+,7+/m0/s1; AKIVXVRDQKFDJC-CQOGJGKDSA-N |
CC1C(C(C(C(N1)CN)O)O)O; C[C@H]1[C@H]([C@ H]([C@@H]([C@H](N1)CN)O)O)O; C[C@@H]1N[C @H](CN)[C@@H](O)[C@H](O)[C@@H]1O; C[CH]1 N[CH](CN)[CH](O)[CH](O)[CH]1O; OC1C(O)C( O)C(NC1CN)C |
(2R,3R,4R,5R,6S)-2-(aminomethyl)-6-methylpiperidine-3,4,5-triol |
| 49694 | ZX0 ZINC000058639118 |
1 | C12 H22 N4 O6 S | InChI=1S/C12H22N4O6S/c17- 11(18)10-9(15-23(20,21)22 )4-7-16(10)12(19)14-8-2-1 -5-13-6-3-8/h8-10,13,15H, 1-7H2,(H,14,19)(H,17,18)( H,20,21,22)/t8-,9+,10-/m0 /s1; WWLDRJMXWRULQB-AEJSXWLSSA-N |
C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(= O)O; C1C[C@@H](CCNC1)NC(=O)N2CC[C@H]([C@ H]2C(=O)O)NS(=O)(=O)O; O=S(=O)(O)NC2C(C( =O)O)N(C(=O)NC1CCCNCC1)CC2; OC(=O)[CH]1[ CH](CCN1C(=O)N[CH]2CCCNCC2)N[S](O)(=O)=O ; OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@H]2CC CNCC2)N[S](O)(=O)=O |
(3R)-1-[(4S)-azepan-4-ylcarbamoyl]-3-(sulfoamino)-L-proline |
| 49695 | ZX1 ZINC000058649659 |
1 | C12 H22 N4 O6 S | InChI=1S/C12H22N4O6S/c17- 11(18)10-9(15-23(20,21)22 )4-7-16(10)12(19)14-8-2-1 -5-13-6-3-8/h8-10,13,15H, 1-7H2,(H,14,19)(H,17,18)( H,20,21,22)/t8-,9-,10+/m1 /s1; WWLDRJMXWRULQB-BBBLOLIVSA-N |
C1CC(CCNC1)NC(=O)N2CCC(C2C(=O)O)NS(=O)(= O)O; OC(=O)[C@@H]1[C@@H](CCN1C(=O)N[C@@H ]2CCCNCC2)N[S](O)(=O)=O; O=S(=O)(O)NC2C( C(=O)O)N(C(=O)NC1CCCNCC1)CC2; C1C[C@H](C CNC1)NC(=O)N2CC[C@H]([C@H]2C(=O)O)NS(=O) (=O)O; OC(=O)[CH]1[CH](CCN1C(=O)N[CH]2CC CNCC2)N[S](O)(=O)=O |
(3R)-1-[(4R)-AZEPAN-4-YLCARBAMOYL]-3-(SULFOAMINO)-L-PROLINE |
| 49696 | ZX3 | 1 | C26 H37 N7 O4 | InChI=1S/C26H37N7O4/c1-2- 20-25-28-18-5-7-32(8-6-18 )9-12-36-15-16-37-22-17-1 9(29-26(31-25)23(30-20)24 (27)34)3-4-21(22)33-10-13 -35-14-11-33/h3-4,17-18H, 2,5-16H2,1H3,(H2,27,34)(H 2,28,29,31); LXUHFRDECMQRJE-UHFFFAOYSA-N |
CCc1c2nc(c(n1)C(=O)N)Nc3ccc(c(c3)OCCOCCN 4CCC(N2)CC4)N5CCOCC5; CCc1nc(C(N)=O)c2Nc 3ccc(N4CCOCC4)c(OCCOCCN5CCC(CC5)Nc1n2)c3 |
3^3-ethyl-5^4-morpholino-6,9-dioxa-2,4-diaza-3(2,6)-pyrazina-1(4,1)-piperidina-5(1,3)-benzenacycloundecaphane-3^5-carboxamide |
| 49697 | ZX4 | 1 | C25 H32 N10 O6 S | InChI=1S/C25H32N10O6S/c26 -19-16-21(30-9-29-19)35(1 0-31-16)23-18(37)17(36)14 (41-23)8-42-12-3-5-34(13( 6-12)24(39)40)4-1-2-11-7- 28-20-15(11)22(38)33-25(2 7)32-20/h7,9-10,12-14,17- 18,23,36-37H,1-6,8H2,(H,3 9,40)(H2,26,29,30)(H4,27, 28,32,33,38)/t12-,13-,14- ,17-,18-,23-/m1/s1; AOZGSZXCWJDLPF-LVEUASCASA-N |
c1c(c2c([nH]1)N=C(NC2=O)N)CCCN3CC[C@H](C [C@@H]3C(=O)O)SC[C@@H]4[C@H]([C@H]([C@@H ](O4)n5cnc6c5ncnc6N)O)O; O=C(O)C1CC(CCN1 CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc 3c(N)ncnc32)C(O)C1O; c1c(c2c([nH]1)N=C(N C2=O)N)CCCN3CCC(CC3C(=O)O)SCC4C(C(C(O4)n 5cnc6c5ncnc6N)O)O; NC1=Nc2[nH]cc(CCCN3CC [CH](C[CH]3C(O)=O)SC[CH]4O[CH]([CH](O)[C H]4O)n5cnc6c(N)ncnc56)c2C(=O)N1; NC1=Nc2 [nH]cc(CCCN3CC[C@H](C[C@@H]3C(O)=O)SC[C@ H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncn c56)c2C(=O)N1 |
5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine |
| 49698 | ZX5 CHEMBL1236988 ZINC000038230544 |
2 | C18 H25 N3 O4 | InChI=1S/C18H25N3O4/c1-10 -16(23)18(25)17(24)14(21- 10)9-20-15(22)7-6-11-8-19 -13-5-3-2-4-12(11)13/h2-5 ,8,10,14,16-19,21,23-25H, 6-7,9H2,1H3,(H,20,22)/t10 -,14+,16+,17+,18+/m0/s1; QUTVJEWHGONWDR-YCIWZXPNSA-N |
CC1C(C(C(C(N1)CNC(=O)CCc2c[nH]c3c2cccc3) O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C)CCc3c2cc ccc2nc3; C[C@H]1[C@H]([C@H]([C@@H]([C@H] (N1)CNC(=O)CCc2c[nH]c3c2cccc3)O)O)O; C[C H]1N[CH](CNC(=O)CCc2c[nH]c3ccccc23)[CH]( O)[CH](O)[CH]1O; C[C@@H]1N[C@H](CNC(=O)C Cc2c[nH]c3ccccc23)[C@@H](O)[C@H](O)[C@@H ]1O |
3-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}propanamide |
| 49699 | ZX6 ZINC000058649661 |
2 | C17 H23 N3 O4 | InChI=1S/C17H23N3O4/c1-9- 15(22)17(24)16(23)13(20-9 )8-19-14(21)6-10-7-18-12- 5-3-2-4-11(10)12/h2-5,7,9 ,13,15-18,20,22-24H,6,8H2 ,1H3,(H,19,21)/t9-,13+,15 +,16+,17+/m0/s1; SIWZFSDAFLUSGA-CXQPTDBTSA-N |
C[C@@H]1N[C@H](CNC(=O)Cc2c[nH]c3ccccc23) [C@@H](O)[C@H](O)[C@@H]1O; C[C@H]1[C@H]( [C@H]([C@@H]([C@H](N1)CNC(=O)Cc2c[nH]c3c 2cccc3)O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C)C c3c2ccccc2nc3; CC1C(C(C(C(N1)CNC(=O)Cc2c [nH]c3c2cccc3)O)O)O; C[CH]1N[CH](CNC(=O) Cc2c[nH]c3ccccc23)[CH](O)[CH](O)[CH]1O |
2-(1H-indol-3-yl)-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| 49700 | ZX7 ZINC000058649664 |
2 | C16 H21 N3 O4 | InChI=1S/C16H21N3O4/c1-8- 13(20)15(22)14(21)12(18-8 )7-17-16(23)11-6-9-4-2-3- 5-10(9)19-11/h2-6,8,12-15 ,18-22H,7H2,1H3,(H,17,23) /t8-,12+,13+,14+,15+/m0/s 1; VHAWVXPAMQXIGT-LMYWXWJPSA-N |
C[C@@H]1N[C@H](CNC(=O)c2[nH]c3ccccc3c2)[ C@@H](O)[C@H](O)[C@@H]1O; O=C(NCC1NC(C(O )C(O)C1O)C)c3cc2ccccc2n3; C[CH]1N[CH](CN C(=O)c2[nH]c3ccccc3c2)[CH](O)[CH](O)[CH] 1O; CC1C(C(C(C(N1)CNC(=O)c2cc3ccccc3[nH] 2)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@H] (N1)CNC(=O)c2cc3ccccc3[nH]2)O)O)O |
N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1H-indole-2-carboxamide |
| 49701 | ZX8 ZINC000058649675 |
2 | C16 H20 N2 O5 | InChI=1S/C16H20N2O5/c1-8- 13(19)15(21)14(20)10(18-8 )7-17-16(22)12-6-9-4-2-3- 5-11(9)23-12/h2-6,8,10,13 -15,18-21H,7H2,1H3,(H,17, 22)/t8-,10+,13+,14+,15+/m 0/s1; WSXUKLGXIBOXHU-QFJYNZAASA-N |
C[CH]1N[CH](CNC(=O)c2oc3ccccc3c2)[CH](O) [CH](O)[CH]1O; C[C@@H]1N[C@H](CNC(=O)c2o c3ccccc3c2)[C@@H](O)[C@H](O)[C@@H]1O; CC 1C(C(C(C(N1)CNC(=O)c2cc3ccccc3o2)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)CNC(= O)c2cc3ccccc3o2)O)O)O; O=C(c2oc1ccccc1c2 )NCC3NC(C)C(O)C(O)C3O |
N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}-1-benzofuran-2-carboxamide |
| 49702 | ZX9 ZINC000036417106 |
2 | C20 H30 N2 O4 | InChI=1S/C20H30N2O4/c1-12 -17(23)19(25)18(24)15(22- 12)11-21-20(26)16(14-9-5- 6-10-14)13-7-3-2-4-8-13/h 2-4,7-8,12,14-19,22-25H,5 -6,9-11H2,1H3,(H,21,26)/t 12-,15+,16+,17+,18+,19+/m 0/s1; USPGDBVOHJFDBD-YFRSTRBHSA-N |
CC1C(C(C(C(N1)CNC(=O)C(c2ccccc2)C3CCCC3) O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](N 1)CNC(=O)[C@H](c2ccccc2)C3CCCC3)O)O)O; C [C@@H]1N[C@H](CNC(=O)[C@@H](C2CCCC2)c3cc ccc3)[C@@H](O)[C@H](O)[C@@H]1O; O=C(NCC1 NC(C(O)C(O)C1O)C)C(c2ccccc2)C3CCCC3; C[C H]1N[CH](CNC(=O)[CH](C2CCCC2)c3ccccc3)[C H](O)[CH](O)[CH]1O |
(2S)-2-cyclopentyl-2-phenyl-N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}ethanamide |
| 49703 | ZXA CHEMBL1236993 |
2 | C9 H18 N2 O4 | InChI=1S/C9H18N2O4/c1-4-7 (13)9(15)8(14)6(11-4)3-10 -5(2)12/h4,6-9,11,13-15H, 3H2,1-2H3,(H,10,12)/t4-,6 +,7+,8+,9+/m0/s1; PCXCXTZASITUBF-GDJKBKKHSA-N |
C[CH]1N[CH](CNC(C)=O)[CH](O)[CH](O)[CH]1 O; C[C@@H]1N[C@H](CNC(C)=O)[C@@H](O)[C@H ](O)[C@@H]1O; CC1C(C(C(C(N1)CNC(=O)C)O)O )O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](N1)C NC(=O)C)O)O)O; O=C(NCC1NC(C(O)C(O)C1O)C) C |
N-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methylpiperidin-2-yl]methyl}acetamide |
| 49704 | ZXB ZINC000058638590 |
2 | C12 H17 N O3 | InChI=1S/C12H17NO3/c14-10 -7-13-9(11(15)12(10)16)6- 8-4-2-1-3-5-8/h1-5,9-16H, 6-7H2/t9-,10+,11+,12-/m0/ s1; NDQBRGWFAQLRFZ-QCNOEVLYSA-N |
O[CH]1CN[CH](Cc2ccccc2)[CH](O)[CH]1O; O[ C@@H]1CN[C@@H](Cc2ccccc2)[C@@H](O)[C@H]1 O; c1ccc(cc1)CC2C(C(C(CN2)O)O)O; OC1C(NC C(O)C1O)Cc2ccccc2; c1ccc(cc1)C[C@H]2[C@H ]([C@H]([C@@H](CN2)O)O)O |
(2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol |
| 49705 | ZXC ZINC000006093591 |
1 | C10 H7 N5 O S | InChI=1S/C10H7N5OS/c16-10 (6-2-1-3-17-6)15-9-7-8(12 -4-11-7)13-5-14-9/h1-5H,( H2,11,12,13,14,15,16); AARNVVCHOMHOPP-UHFFFAOYSA-N |
c1cc(sc1)C(=O)Nc2c3c([nH]cn3)ncn2; O=C(N c1ncnc2[nH]cnc12)c3sccc3 |
N-(9H-purin-6-yl)thiophene-2-carboxamide |
| 49706 | ZXD | 2 | C8 H17 N O3 | InChI=1S/C8H17NO3/c1-4(2) 6-8(12)7(11)5(10)3-9-6/h4 -12H,3H2,1-2H3/t5-,6+,7+, 8-/m1/s1; WNBLNSHOIGFFFW-VGRMVHKJSA-N |
CC(C)C1C(C(C(CN1)O)O)O; CC(C)[C@@H]1NC[C @@H](O)[C@H](O)[C@@H]1O; CC(C)[C@H]1[C@H ]([C@H]([C@@H](CN1)O)O)O; CC(C)[CH]1NC[C H](O)[CH](O)[CH]1O; OC1C(NCC(O)C1O)C(C)C |
(2S,3R,4S,5R)-2-(1-methylethyl)piperidine-3,4,5-triol |
| 49707 | ZXE | 1 | C16 H14 N2 O8 Ru2 | InChI=1S/C13H12N2.2CH2O3. CH2O2.2Ru/c1-3-7-12(8-4-1 )14-11-15-13-9-5-2-6-10-1 3;2*2-1(3)4;2-1-3;;/h1-10 H,11H2;2*(H2,2,3,4);1H2;; /q-2;;;-2;2*+4/p-4; VXNQBXDONZSVPB-UHFFFAOYSA-J |
c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O) O4)OC(=O)O5)c6ccccc6; O=C1O[Ru]23OCO[Ru] (O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5 |
Ru2(DPhF)(CO3)2(Formate) |
| 49708 | ZXG ZINC000082430252 |
1 | C15 H12 Br4 O5 S | InChI=1S/C15H12Br4O5S/c1- 15(2,7-3-9(16)13(20)10(17 )4-7)8-5-11(18)14(12(19)6 -8)24-25(21,22)23/h3-6,20 H,1-2H3,(H,21,22,23); ZFFYEAWOYUGBMP-UHFFFAOYSA-N |
Brc1cc(cc(Br)c1OS(=O)(=O)O)C(c2cc(Br)c(O )c(Br)c2)(C)C; CC(C)(c1cc(c(c(c1)Br)O)Br )c2cc(c(c(c2)Br)OS(=O)(=O)O)Br; CC(C)(c1 cc(Br)c(O)c(Br)c1)c2cc(Br)c(O[S](O)(=O)= O)c(Br)c2 |
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenyl hydrogen sulfate |
| 49709 | ZXH CHEMBL5407732 |
1 | C23 H28 Cl N3 O3 | InChI=1S/C23H28ClN3O3/c1- 23(13-30-12-20(23)28)27-6 -4-14(5-7-27)18-8-16-10-2 1(26-22(29)15-2-3-15)25-1 1-17(16)9-19(18)24/h8-11, 14-15,20,28H,2-7,12-13H2, 1H3,(H,25,26,29)/t20-,23+ /m0/s1; AUWBKRNKWPJDOB-NZQKXSOJSA-N |
C[C]1(COC[CH]1O)N2CCC(CC2)c3cc4cc(NC(=O) C5CC5)ncc4cc3Cl; CC1(COCC1O)N2CCC(CC2)c3 cc4cc(ncc4cc3Cl)NC(=O)C5CC5; C[C@]1(COC[ C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(= O)C5CC5; C[C@]1(COC[C@@H]1O)N2CCC(CC2)c3 cc4cc(NC(=O)C5CC5)ncc4cc3Cl; OC1COCC1(C) N1CCC(CC1)c1cc2cc(NC(=O)C3CC3)ncc2cc1Cl |
N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide |
| 49710 | ZXI ZINC000002563302 |
1 | C7 H8 I N | InChI=1S/C7H8IN/c8-7-3-1- 6(5-9)2-4-7/h1-4H,5,9H2; KCGZGJOBKAXVSU-UHFFFAOYSA-N |
c1cc(ccc1CN)I; NCc1ccc(I)cc1; C(c1ccc(cc 1)I)N |
1-(4-iodophenyl)methanamine; 4-Iodobenzylamine |
| 49711 | ZXJ CHEMBL5570679 ZINC000020525723 |
1 | C15 H14 O2 S | InChI=1S/C15H14O2S/c1-15( 2)8-9-7-12(14(16)17)18-13 (9)10-5-3-4-6-11(10)15/h3 -7H,8H2,1-2H3,(H,16,17); PTOBLWZWMMBLGH-UHFFFAOYSA-N |
CC1(Cc2cc(sc2-c3c1cccc3)C(=O)O)C; O=C(O) c1cc2CC(C)(C)c3ccccc3c2s1; CC1(C)Cc2cc(s c2c3ccccc13)C(O)=O |
(9aM)-5,5-dimethyl-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
| 49712 | ZXL CHEMBL5419587 |
2 | C27 H32 Cl N5 O3 | InChI=1S/C27H32ClN5O3/c1- 27(15-36-14-24(27)34)33-5 -3-16(4-6-33)21-7-17-9-25 (29-11-18(17)8-23(21)28)3 1-26(35)22-10-20(22)19-12 -30-32(2)13-19/h7-9,11-13 ,16,20,22,24,34H,3-6,10,1 4-15H2,1-2H3,(H,29,31,35) /t20-,22+,24+,27-/m1/s1; ZQNPWSJRKWOXCM-LQZFSELZSA-N |
Cn1cc(cn1)[CH]2C[CH]2C(=O)Nc3cc4cc(C5CCN (CC5)[C]6(C)COC[CH]6O)c(Cl)cc4cn3; C[C@] 1(COC[C@@H]1O)N2CCC(CC2)c3cc4cc(ncc4cc3C l)NC(=O)[C@H]5C[C@@H]5c6cnn(c6)C; CC1(CO CC1O)N2CCC(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C 5CC5c6cnn(c6)C; Cn1cc(cn1)[C@H]2C[C@@H]2 C(=O)Nc3cc4cc(C5CCN(CC5)[C@]6(C)COC[C@@H ]6O)c(Cl)cc4cn3; OC1COCC1(C)N1CCC(CC1)c1 cc2cc(NC(=O)C3CC3c3cn(C)nc3)ncc2cc1Cl |
(1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide |
| 49713 | ZXM CHEMBL3586553 ZINC000207098125 |
10 | C11 H13 B N4 O5 S | InChI=1S/C11H13BN4O5S/c17 -10(4-7-2-1-3-22-7)13-9(1 2(20)21)6-16-5-8(11(18)19 )14-15-16/h1-3,5,9,20-21H ,4,6H2,(H,13,17)(H,18,19) /t9-/m0/s1; ZXGRTNOGXAKRBS-VIFPVBQESA-N |
B(C(Cn1cc(nn1)C(=O)O)NC(=O)Cc2cccs2)(O)O ; OB(O)[C@H](Cn1cc(nn1)C(O)=O)NC(=O)Cc2s ccc2; O=C(NC(B(O)O)Cn1nnc(C(=O)O)c1)Cc2s ccc2; B([C@H](Cn1cc(nn1)C(=O)O)NC(=O)Cc2 cccs2)(O)O; OB(O)[CH](Cn1cc(nn1)C(O)=O)N C(=O)Cc2sccc2 |
1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid |
| 49714 | ZXN | 3 | C14 H16 N3 O5 P | InChI=1S/C14H16N3O5P/c1-1 0-14(18)13(8-16-17-12-5-3 -2-4-6-12)11(7-15-10)9-22 -23(19,20)21/h2-8,17-18H, 9H2,1H3,(H2,19,20,21)/b16 -8+; VZZGBIJWEDOPQL-LZYBPNLTSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/Nc2ccccc2) O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NNc2ccccc2 )O; Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2) c1O; Cc1ncc(CO[P](O)(O)=O)c(/C=N/Nc2cccc c2)c1O |
[6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate |
| 49715 | ZXP CHEMBL5408287 |
1 | C26 H33 Cl N4 O4 | InChI=1S/C26H33ClN4O4/c1- 25(16-35-15-22(25)32)31-6 -4-30(5-7-31)21-11-17-12- 23(28-14-18(17)10-20(21)2 7)29-24(33)19-13-26(19)2- 8-34-9-3-26/h10-12,14,19, 22,32H,2-9,13,15-16H2,1H3 ,(H,28,29,33)/t19-,22+,25 -/m1/s1; ISEBFQYGEPKLRU-RZTXVSJASA-N |
C[C]1(COC[CH]1O)N2CCN(CC2)c3cc4cc(NC(=O) [CH]5CC56CCOCC6)ncc4cc3Cl; CC1(COCC1O)N2 CCN(CC2)c3cc4cc(ncc4cc3Cl)NC(=O)C5CC56CC OCC6; C[C@]1(COC[C@@H]1O)N2CCN(CC2)c3cc4 cc(NC(=O)[C@H]5CC56CCOCC6)ncc4cc3Cl; C[C @]1(COC[C@@H]1O)N2CCN(CC2)c3cc4cc(ncc4cc 3Cl)NC(=O)[C@H]5CC56CCOCC6; OC1COCC1(C)N 1CCN(CC1)c1cc2cc(NC(=O)C3CC43CCOCC4)ncc2 cc1Cl |
(1S)-N-(7-chloro-6-{4-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl}isoquinolin-3-yl)-6-oxaspiro[2.5]octane-1-carboxamide |
| 49716 | ZXQ CHEMBL5172356 |
3 | C13 H16 B N O5 S | InChI=1S/C13H16BNO5S/c16- 12(8-10-4-2-6-21-10)15-11 -5-1-3-9(7-13(17)18)20-14 (11)19/h1-4,6,9,11,19H,5, 7-8H2,(H,15,16)(H,17,18)/ t9-,11+/m1/s1; JQVILEFLUQMOSI-KOLCDFICSA-N |
B1(C(CC=CC(O1)CC(=O)O)NC(=O)Cc2cccs2)O; OB1O[CH](CC(O)=O)C=CC[CH]1NC(=O)Cc2sccc2 ; OB1O[C@@H](CC(O)=O)C=CC[C@@H]1NC(=O)Cc 2sccc2; O=C(NC1CC=CC(CC(=O)O)OB1O)Cc1ccc s1; B1([C@H](CC=C[C@@H](O1)CC(=O)O)NC(=O )Cc2cccs2)O |
{(3R,7S)-2-hydroxy-3-[2-(thiophen-2-yl)acetamido]-2,3,4,7-tetrahydro-1,2-oxaborepin-7-yl}acetic acid |
| 49717 | ZXT CHEMBL1720448 ZINC000003400706 |
1 | C17 H22 N4 O3 S2 | InChI=1S/C17H22N4O3S2/c1- 12-11-18-17(25-12)19-16(2 2)14-10-13(26(23,24)20(2) 3)6-7-15(14)21-8-4-5-9-21 /h6-7,10-11H,4-5,8-9H2,1- 3H3,(H,18,19,22); QPKGRLIYJGBKJL-UHFFFAOYSA-N |
Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(= O)N(C)C; CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c (c1)C(=O)Nc3sc(C)cn3 |
5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide |
| 49718 | ZXU | 1 | C36 H32 N2 O12 | InChI=1S/C36H32N2O12/c39- 22-7-2-19(3-8-22)14-24(38 -31(46)11-5-20-4-9-25(41) 27(43)15-20)36(48)37-12-1 -13-49-35-33(47)32-29(45) 17-23(40)18-30(32)50-34(3 5)21-6-10-26(42)28(44)16- 21/h2-11,15-18,24,39-45H, 1,12-14H2,(H,37,48)(H,38, 46)/b11-5+/t24-/m0/s1; IRVRXEMGBYHLMY-REHZOHHSSA-N |
c1cc(ccc1C[C@@H](C(=O)NCCCOC2=C(Oc3cc(cc (c3C2=O)O)O)c4ccc(c(c4)O)O)NC(=O)/C=C/c5 ccc(c(c5)O)O)O; c1cc(ccc1CC(C(=O)NCCCOC2 =C(Oc3cc(cc(c3C2=O)O)O)c4ccc(c(c4)O)O)NC (=O)C=Cc5ccc(c(c5)O)O)O; Oc1ccc(C[CH](NC (=O)C=Cc2ccc(O)c(O)c2)C(=O)NCCCOC3=C(Oc4 cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)cc1; N(C (C(=O)NCCCOC=1C(=O)c3c(OC=1c2ccc(c(c2)O) O)cc(cc3O)O)Cc4ccc(cc4)O)C(=O)[C@H]=[C@H ]c5ccc(c(c5)O)O; Oc1ccc(C[C@H](NC(=O)/C= C/c2ccc(O)c(O)c2)C(=O)NCCCOC3=C(Oc4cc(O) cc(O)c4C3=O)c5ccc(O)c(O)c5)cc1 |
N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-Nalpha-[(2E)-3-(3,4-dihydroxyphenyl )prop-2-enoyl]-L-tyrosinamide; synthetic Montbretin A analogue |
| 49719 | ZXW | 0 | C15 H24 N7 O15 P3 S | InChI=1S/C15H24N7O15P3S/c 16-6(15(26)27)1-18-8(23)3 -41-40(32,33)37-39(30,31) 36-38(28,29)34-2-7-10(24) 11(25)14(35-7)22-5-21-9-1 2(17)19-4-20-13(9)22/h4-7 ,10-11,14,24-25H,1-3,16H2 ,(H,18,23)(H,26,27)(H,28, 29)(H,30,31)(H,32,33)(H2, 17,19,20)/t6-,7+,10+,11+, 14+/m0/s1; XOFIPCWNRZKVRI-LTOLZBHSSA-N |
N[C@@H](CNC(=O)CS[P](O)(=O)O[P](O)(=O)O[ P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O )n2cnc3c(N)ncnc23)C(O)=O; c1nc(c2c(n1)n( cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O) (O)SCC(=O)NCC(C(=O)O)N)O)O)N; c1nc(c2c(n 1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP (=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NC[C@@H] (C(=O)O)N)O)O)N; NC(CNC(CSP(OP(OP(=O)(O) OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O )=O)=O)C=O; N[CH](CNC(=O)CS[P](O)(=O)O[P ](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[ CH]1O)n2cnc3c(N)ncnc23)C(O)=O |
5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine |
| 49720 | ZXX | 1 | C22 H32 N4 O6 | InChI=1S/C22H32N4O6/c1-13 (2)19(23-14(3)27)20(29)24 -18(12-15-7-5-8-16(28)11- 15)21(30)26-10-6-9-17(25- 26)22(31)32-4/h5,7-8,11,1 3,17-19,25,28H,6,9-10,12H 2,1-4H3,(H,23,27)(H,24,29 )/t17-,18-,19-/m0/s1; IUZKEOQGDGPKJY-FHWLQOOXSA-N |
COC(=O)[CH]1CCCN(N1)C(=O)[CH](Cc2cccc(O) c2)NC(=O)[CH](NC(C)=O)C(C)C; O=C(N1CCCC( N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)= O)C(C)C; COC(=O)[C@@H]1CCCN(N1)C(=O)[C@H ](Cc2cccc(O)c2)NC(=O)[C@@H](NC(C)=O)C(C) C; CC(C)[C@@H](C(=O)N[C@@H](Cc1cccc(c1)O )C(=O)N2CCC[C@H](N2)C(=O)OC)NC(=O)C; CC( C)C(C(=O)NC(Cc1cccc(c1)O)C(=O)N2CCCC(N2) C(=O)OC)NC(=O)C |
methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate |
| 49721 | ZXY | 1 | C32 H30 N2 O11 | InChI=1S/C32H30N2O11/c35- 19-15-25(40)28-26(16-19)4 5-30(18-6-8-22(37)24(39)1 4-18)31(29(28)42)44-12-2- 10-33-32(43)20-3-1-11-34( 20)27(41)9-5-17-4-7-21(36 )23(38)13-17/h4-9,13-16,2 0,35-40H,1-3,10-12H2,(H,3 3,43)/b9-5+/t20-/m0/s1; MYJPTGWVMBCTRI-MRSBXDGLSA-N |
N4(C(C(=O)NCCCOC=1C(c3c(OC=1c2ccc(c(c2)O )O)cc(cc3O)O)=O)CCC4)C(=O)[C@H]=[C@H]c5c cc(c(c5)O)O; Oc1cc(O)c2C(=O)C(=C(Oc2c1)c 3ccc(O)c(O)c3)OCCCNC(=O)[CH]4CCCN4C(=O)C =Cc5ccc(O)c(O)c5; Oc1cc(O)c2C(=O)C(=C(Oc 2c1)c3ccc(O)c(O)c3)OCCCNC(=O)[C@@H]4CCCN 4C(=O)/C=C/c5ccc(O)c(O)c5; c1cc(c(cc1/C= C/C(=O)N2CCC[C@H]2C(=O)NCCCOC3=C(Oc4cc(c c(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O; c1cc(c( cc1C=CC(=O)N2CCCC2C(=O)NCCCOC3=C(Oc4cc(c c(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O |
N-(3-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl]oxy}propyl)-1-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-L-prolinamide; Montbretin A analogue M06-MbA |
| 49722 | ZXZ CHEMBL60376 ZINC000000032147 |
4 | C11 H11 N O | InChI=1S/C11H11NO/c1-8-7- 11(13)12(2)10-6-4-3-5-9(8 )10/h3-7H,1-2H3; CEONKCOBRZOYJS-UHFFFAOYSA-N |
CC1=CC(=O)N(c2c1cccc2)C; CN1C(=O)C=C(C)c 2ccccc12; O=C2C=C(c1c(cccc1)N2C)C |
1,4-dimethylquinolin-2(1H)-one |
| 49723 | ZY0 CHEMBL501958 ZINC000038998461 |
1 | C34 H35 F3 N4 O3 | InChI=1S/C34H35F3N4O3/c1- 2-24-13-14-39-32-27(24)18 -25(19-29(32)41-15-7-12-3 1(41)43)33(44)40-28(17-22 -8-4-3-5-9-22)30(42)21-38 -20-23-10-6-11-26(16-23)3 4(35,36)37/h3-6,8-11,13-1 4,16,18-19,28,30,38,42H,2 ,7,12,15,17,20-21H2,1H3,( H,40,44)/t28-,30+/m0/s1; YDNCUOPJVVQEMT-MFMCTBQISA-N |
FC(F)(F)c1cccc(c1)CNCC(O)C(NC(=O)c3cc2c( nccc2CC)c(c3)N4C(=O)CCC4)Cc5ccccc5; CCc1 ccnc2c(cc(cc12)C(=O)N[CH](Cc3ccccc3)[CH] (O)CNCc4cccc(c4)C(F)(F)F)N5CCCC5=O; CCc1 ccnc2c1cc(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4 )C(CNCc5cccc(c5)C(F)(F)F)O; CCc1ccnc2c1c c(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4ccccc4)[C @@H](CNCc5cccc(c5)C(F)(F)F)O; CCc1ccnc2c (cc(cc12)C(=O)N[C@@H](Cc3ccccc3)[C@H](O) CNCc4cccc(c4)C(F)(F)F)N5CCCC5=O |
N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE |
| 49724 | ZY1 CHEMBL539436 ZINC000038998652 |
1 | C32 H38 N4 O5 S | InChI=1S/C32H38N4O5S/c1-4 -24-21-36-13-14-42(39,40) 35(2)29-18-25(17-27(24)31 (29)36)32(38)34-28(16-22- 9-6-5-7-10-22)30(37)20-33 -19-23-11-8-12-26(15-23)4 1-3/h5-12,15,17-18,21,28, 30,33,37H,4,13-14,16,19-2 0H2,1-3H3,(H,34,38)/t28-, 30+/m0/s1; MNGUVHPNHVMEDL-MFMCTBQISA-N |
O=C(c2cc3c1n(cc(c1c2)CC)CCS(=O)(=O)N3C)N C(Cc4ccccc4)C(O)CNCc5cccc(OC)c5; CCc1cn2 c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)NC(Cc4cc ccc4)C(CNCc5cccc(c5)OC)O; CCc1cn2CC[S](= O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc4cccc c4)[CH](O)CNCc5cccc(OC)c5; CCc1cn2CC[S]( =O)(=O)N(C)c3cc(cc1c23)C(=O)N[C@@H](Cc4c cccc4)[C@H](O)CNCc5cccc(OC)c5; CCc1cn2c3 c1cc(cc3[N@](S(=O)(=O)CC2)C)C(=O)N[C@@H] (Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O |
N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-7-ethyl-1-methyl-3,4-dihydro-1H-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide 2,2-dioxide |
| 49725 | ZY2 ZINC000038998944 |
1 | C32 H41 N5 O5 S | InChI=1S/C32H41N5O5S/c1-4 -36-13-14-37-15-16-43(40, 41)35(2)28-19-25(20-29(36 )31(28)37)32(39)34-27(18- 23-9-6-5-7-10-23)30(38)22 -33-21-24-11-8-12-26(17-2 4)42-3/h5-12,17,19-20,27, 30,33,38H,4,13-16,18,21-2 2H2,1-3H3,(H,34,39)/t27-, 30+/m0/s1; UKAHVQYVCSVAKY-BHBYDHKZSA-N |
CCN1CCN2CCS(=O)(=O)N(c3c2c1cc(c3)C(=O)NC (Cc4ccccc4)C(CNCc5cccc(c5)OC)O)C; CCN1CC N2CCS(=O)(=O)[N@](c3c2c1cc(c3)C(=O)N[C@@ H](Cc4ccccc4)[C@@H](CNCc5cccc(c5)OC)O)C; O=C(NC(Cc1ccccc1)C(O)CNCc2cccc(OC)c2)c5 cc4c3c(N(CCN3CCS(=O)(=O)N4C)CC)c5; CCN1C CN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[C @@H](Cc4ccccc4)[C@H](O)CNCc5cccc(OC)c5; CCN1CCN2CC[S](=O)(=O)N(C)c3cc(cc1c23)C(= O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC)c5 |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-8-ETHYL-1-METHYL-3,4,7,8-TETRAHYDRO-1H,6H-[1,2,5]THIADIAZEPINO[5,4,3-DE]QUINOXALINE-10-CARBOXAMIDE 2,2-DIOXIDE |
| 49726 | ZY3 ZINC000038998991 |
1 | C31 H40 N4 O5 S | InChI=1S/C31H40N4O5S/c1-4 -33-27-18-24(19-29-26(27) 14-9-15-41(38,39)35(29)2) 31(37)34-28(17-22-10-6-5- 7-11-22)30(36)21-32-20-23 -12-8-13-25(16-23)40-3/h5 -8,10-13,16,18-19,28,30,3 2-33,36H,4,9,14-15,17,20- 21H2,1-3H3,(H,34,37)/t28- ,30+/m0/s1; JAQQVYMOVUUAHB-MFMCTBQISA-N |
CCNc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[ CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4; CC Nc1cc(cc2N(C)[S](=O)(=O)CCCc12)C(=O)N[C@ @H](Cc3ccccc3)[C@H](O)CNCc4cccc(OC)c4; C CNc1cc(cc2c1CCCS(=O)(=O)N2C)C(=O)N[C@@H] (Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)O; O=C (c1cc2c(c(NCC)c1)CCCS(=O)(=O)N2C)NC(Cc3c cccc3)C(O)CNCc4cccc(OC)c4; CCNc1cc(cc2c1 CCCS(=O)(=O)N2C)C(=O)NC(Cc3ccccc3)C(CNCc 4cccc(c4)OC)O |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-6-(ETHYLAMINO)-1-METHYL-1,3,4,5-TETRAHYDRO-2,1-BENZOTHIAZEPINE-8-CARBOXAMIDE 2,2-DIOXIDE |
| 49727 | ZY4 ZINC000038998945 |
1 | C29 H38 N4 O6 S | InChI=1S/C29H38N4O6S/c1-3 -33-18-21-11-14-40(37,38) 32(2)24-16-22(17-25(33)27 (21)24)28(34)31-26(15-20- 7-5-4-6-8-20)29(35,36)19- 30-23-9-12-39-13-10-23/h4 -8,16-18,23,26,30,35-36H, 3,9-15,19H2,1-2H3,(H,31,3 4)/t26-/m0/s1; LMEDJLLRHRUTJN-SANMLTNESA-N |
CCn1cc2c3c1cc(cc3N(S(=O)(=O)CC2)C)C(=O)N C(Cc4ccccc4)C(CNC5CCOCC5)(O)O; CCn1cc2CC [S](=O)(=O)N(C)c3cc(cc1c23)C(=O)N[CH](Cc 4ccccc4)C(O)(O)CNC5CCOCC5; O=C(NC(Cc1ccc cc1)C(O)(O)CNC2CCOCC2)c5cc3n(cc4c3c(N(C) S(=O)(=O)CC4)c5)CC; CCn1cc2c3c1cc(cc3N(S (=O)(=O)CC2)C)C(=O)N[C@@H](Cc4ccccc4)C(C NC5CCOCC5)(O)O; CCn1cc2CC[S](=O)(=O)N(C) c3cc(cc1c23)C(=O)N[C@@H](Cc4ccccc4)C(O)( O)CNC5CCOCC5 |
N-[(1S)-1-BENZYL-2,2-DIHYDROXY-3-(TETRAHYDRO-2H-PYRAN-4-YLAMINO)PROPYL]-6-ETHYL-1-METHYL-1,3,4,6-TETRAHYDRO[1,2]THIAZEPINO[5,4,3-CD]INDOLE-8-CARBOXAMIDE 2,2-DIOXIDE |
| 49728 | ZY5 CHEMBL1162395 ZINC000040950313 |
10 | C18 H18 N2 O2 | InChI=1S/C18H18N2O2/c1-22 -17-11-16(21)7-6-13(17)10 -14-4-3-9-20-18(14)15-5-2 -8-19-12-15/h2,5-8,10-12, 21H,3-4,9H2,1H3/b14-10+; KXAAIPFSUGPVMQ-GXDHUFHOSA-N |
COc1cc(O)ccc1\C=C2/CCCN=C2c3cccnc3; COc1 cc(ccc1\C=C\2/CCCN=C2c3cccnc3)O; Oc1ccc( c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3; COc1cc( O)ccc1C=C2CCCN=C2c3cccnc3; COc1cc(ccc1C= C2CCCN=C2c3cccnc3)O |
4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL |
| 49729 | ZY6 CHEMBL562314 DB08774 ZINC000039001862 |
1 | C17 H19 N5 O | InChI=1S/C17H19N5O/c18-8- 13-11-22(6-7-23-13)16-14( 12-4-2-1-3-5-12)9-19-17-1 5(16)10-20-21-17/h1-5,9-1 0,13H,6-8,11,18H2,(H,19,2 0,21)/t13-/m0/s1; YBRZCAKSBYWZTC-ZDUSSCGKSA-N |
n2cc1c(c(cnc1n2)c3ccccc3)N4CC(OCC4)CN; c 1ccc(cc1)c2cnc3c(c2N4CCO[C@H](C4)CN)cn[n H]3; NC[C@H]1CN(CCO1)c2c3cn[nH]c3ncc2c4c cccc4; NC[CH]1CN(CCO1)c2c3cn[nH]c3ncc2c4 ccccc4; c1ccc(cc1)c2cnc3c(c2N4CCOC(C4)CN )cn[nH]3 |
1-[(2S)-4-(5-phenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)morpholin-2-yl]methanamine |
| 49730 | ZY7 CHEMBL134713 DB05708 ZINC000000000860 |
10 | C19 H20 N2 O2 | InChI=1S/C19H20N2O2/c1-22 -17-8-7-14(18(12-17)23-2) 11-15-5-4-10-21-19(15)16- 6-3-9-20-13-16/h3,6-9,11- 13H,4-5,10H2,1-2H3/b15-11 +; RPYWXZCFYPVCNQ-RVDMUPIBSA-N |
COc1ccc(\C=C2/CCCN=C2c3cccnc3)c(OC)c1; O (c1ccc(c(OC)c1)\C=C2\C(=NCCC2)c3cccnc3)C ; COc1ccc(c(c1)OC)\C=C\2/CCCN=C2c3cccnc3 ; COc1ccc(c(c1)OC)C=C2CCCN=C2c3cccnc3; C Oc1ccc(C=C2CCCN=C2c3cccnc3)c(OC)c1 |
(3E)-3-[(2,4-DIMETHOXYPHENYL)METHYLIDENE]-3,4,5,6-TETRAHYDRO-2,3'-BIPYRIDINE |
| 49731 | ZY8 CHEMBL100940 ZINC000003874478 |
8 | C26 H25 N O4 | InChI=1S/C26H25NO4/c28-18 -8-7-15-11-20-26(29)12-17 -16-3-1-2-4-19(16)30-22(1 7)24-25(26,21(15)23(18)31 -24)9-10-27(20)13-14-5-6- 14/h1-4,7-8,14,20,24,28-2 9H,5-6,9-13H2/t20-,24+,25 +,26-/m1/s1; ZHVWWEYETMPAMX-IFKAHUTRSA-N |
c1ccc2c(c1)c3c(o2)C4C56CCN(C(C5(C3)O)Cc7 c6c(c(cc7)O)O4)CC8CC8; Oc1ccc2C[CH]3N(CC [C]45[CH](Oc1c24)c6oc7ccccc7c6C[C]35O)CC 8CC8; c1ccc2c(c1)c3c(o2)[C@H]4[C@@]56CCN ([C@@H]([C@@]5(C3)O)Cc7c6c(c(cc7)O)O4)CC 8CC8; Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc 1c24)c6oc7ccccc7c6C[C@@]35O)CC8CC8; OC12 Cc3c(oc4ccccc43)C3Oc4c(O)ccc5CC1N(CC1CC1 )CCC32c54 |
(4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,9,14b-hexahydro-8aH-4,8-methanobis[1]benzofuro[3,2-e:2',3'-g]isoquinoline-1,8a-diol |
| 49732 | ZY9 ZINC000035269649 |
0 | C7 H8 N2 O2 | InChI=1S/C7H8N2O2/c8-4-5- 2-1-3-6(9-5)7(10)11/h1-3H ,4,8H2,(H,10,11); KKWKBQBRQWNTPN-UHFFFAOYSA-N |
NCc1cccc(n1)C(O)=O; c1cc(nc(c1)C(=O)O)CN | 6-(aminomethyl)pyridine-2-carboxylic acid |
| 49733 | ZYA CHEMBL68828 DB08775 ZINC000026272137 |
1 | C21 H23 F N2 O5 | InChI=1S/C21H23FN2O5/c1-1 4(19(26)12-22)23-20(27)18 (11-15-7-9-17(25)10-8-15) 24-21(28)29-13-16-5-3-2-4 -6-16/h2-10,14,18,25H,11- 13H2,1H3,(H,23,27)(H,24,2 8)/t14-,18-/m0/s1; RYABQRLJLIHDIP-KSSFIOAISA-N |
CC(C(=O)CF)NC(=O)[C@H](Cc1ccc(cc1)O)NC(= O)OCc2ccccc2; C[C@H](NC(=O)[C@H](Cc1ccc( O)cc1)NC(=O)OCc2ccccc2)C(=O)CF; C[CH](NC (=O)[CH](Cc1ccc(O)cc1)NC(=O)OCc2ccccc2)C (=O)CF; FCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc 1)Cc2ccc(O)cc2)C; CC(C(=O)CF)NC(=O)C(Cc1 ccc(cc1)O)NC(=O)OCc2ccccc2 |
BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE; Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-L-tyrosinamide |
| 49734 | ZYB ZINC000012649842 |
0 | C7 H7 F N2 O | InChI=1S/C7H7FN2O/c8-6-3- 1-5(2-4-6)7(9)10-11/h1-4, 11H,(H2,9,10); OSUPWUQRPLIJKX-UHFFFAOYSA-N |
NC(=N\O)/c1ccc(F)cc1; NC(=NO)c1ccc(F)cc1 ; c1cc(ccc1C(=NO)N)F; c1cc(ccc1/C(=N/O)/ N)F; Fc1ccc(C(=N\O)\N)cc1 |
4-Fluorobenzamidoxime |
| 49735 | ZYC CHEMBL286796 DB11285 ZINC000000160496 |
7 | C12 H14 O4 | InChI=1S/C12H14O4/c1-3-16 -12(14)7-5-9-4-6-10(13)11 (8-9)15-2/h4-8,13H,3H2,1- 2H3/b7-5+; ATJVZXXHKSYELS-FNORWQNLSA-N |
CCOC(=O)C=Cc1ccc(c(c1)OC)O; CCOC(=O)/C=C /c1ccc(c(c1)OC)O; CCOC(=O)\C=C\c1ccc(O)c (OC)c1; CCOC(=O)C=Cc1ccc(O)c(OC)c1; O=C( OCC)\C=C\c1cc(OC)c(O)cc1 |
ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate; ethyl ferulate |
| 49736 | ZYD ZINC000095920986 |
1 | C27 H44 O3 | InChI=1S/C27H44O3/c1-20-2 2(18-23(28)19-25(20)29)13 -12-21-10-8-16-27(17-9-11 -24(21)27)15-7-5-4-6-14-2 6(2,3)30/h12-13,23-25,28- 30H,1,4-11,14-19H2,2-3H3/ b21-12+,22-13-/t23-,24+,2 5+,27-/m1/s1; FJGYNKGWOKETAA-AXVRRUDCSA-N |
CC(C)(O)CCCCCC[C@@]12CCC[C@H]1C(/CCC2)=C /C=C3/C[C@@H](O)C[C@H](O)C3=C; OC3C(=C)\ C(=C/C=C1\CCCC2(CCCCCCC(O)(C)C)CCCC12)CC (O)C3; CC(C)(CCCCCCC12CCCC1C(=CC=C3CC(CC (C3=C)O)O)CCC2)O; CC(C)(CCCCCC[C@@]12CCC [C@H]1/C(=C/C=C\3/C[C@H](C[C@@H](C3=C)O) O)/CCC2)O; CC(C)(O)CCCCCC[C]12CCC[CH]1C( CCC2)=CC=C3C[CH](O)C[CH](O)C3=C |
(1R,3S,5Z)-5-{(2E)-2-[(3aR,7aS)-7a-(7-hydroxy-7-methyloctyl)octahydro-4H-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol |
| 49737 | ZYE CHEMBL529838 ZINC000038998431 |
1 | C33 H38 N4 O4 | InChI=1S/C33H38N4O4/c1-3- 36-16-14-27-29(36)19-25(2 0-30(27)37-15-8-13-32(37) 39)33(40)35-28(18-23-9-5- 4-6-10-23)31(38)22-34-21- 24-11-7-12-26(17-24)41-2/ h4-7,9-12,14,16-17,19-20, 28,31,34,38H,3,8,13,15,18 ,21-22H2,1-2H3,(H,35,40)/ t28-,31+/m0/s1; BARAICYUEPEIRD-QCENPCRXSA-N |
CCn1ccc2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](C c4ccccc4)[C@H](O)CNCc5cccc(OC)c5; CCn1cc c2c1cc(cc2N3CCCC3=O)C(=O)N[C@@H](Cc4cccc c4)[C@@H](CNCc5cccc(c5)OC)O; CCn1ccc2c1c c(cc2N3CCCC3=O)C(=O)NC(Cc4ccccc4)C(CNCc5 cccc(c5)OC)O; CCn1ccc2c1cc(cc2N3CCCC3=O) C(=O)N[CH](Cc4ccccc4)[CH](O)CNCc5cccc(OC )c5; O=C5N(c1cc(cc2c1ccn2CC)C(=O)NC(Cc3c cccc3)C(O)CNCc4cccc(OC)c4)CCC5 |
N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE |
| 49738 | ZYF ZINC000098209684 |
3 | C37 H53 N5 O12 | InChI=1S/C37H53N5O12/c1-2 5(23-31(44)38-27-16-11-14 -22-42(52)36(27)49)54-37( 50)28(39-34(48)29-24-53-3 5(40-29)26-15-9-10-18-30( 26)43)17-12-13-21-41(51)3 2(45)19-7-5-3-2-4-6-8-20- 33(46)47/h7,9-10,15,18-19 ,25,27-29,43,51-52H,2-6,8 ,11-14,16-17,20-24H2,1H3, (H,38,44)(H,39,48)(H,46,4 7)/b19-7-/t25-,27-,28-,29 -/m0/s1; DRNVRDPDTBNRNR-SFCJKLQFSA-N |
C[C@@H](CC(=O)N[C@H]1CCCCN(C1=O)O)OC(=O) [C@H](CCCCN(C(=O)/C=C\CCCCCCCC(=O)O)O)NC (=O)[C@@H]2COC(=N2)c3ccccc3O; O=C(NC(C(= O)OC(C)CC(=O)NC1C(=O)N(O)CCCC1)CCCCN(O)C (=O)\C=C/CCCCCCCC(=O)O)C2N=C(OC2)c3c(O)c ccc3; C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)OC( =O)[CH](CCCCN(O)C(=O)C=CCCCCCCCC(O)=O)NC (=O)[CH]2COC(=N2)c3ccccc3O; C[C@@H](CC(= O)N[C@H]1CCCCN(O)C1=O)OC(=O)[C@H](CCCCN( O)C(=O)\C=C/CCCCCCCC(O)=O)NC(=O)[C@@H]2C OC(=N2)c3ccccc3O; CC(CC(=O)NC1CCCCN(C1=O )O)OC(=O)C(CCCCN(C(=O)C=CCCCCCCCC(=O)O)O )NC(=O)C2COC(=N2)c3ccccc3O |
|
| 49739 | ZYG ZINC000098209685 |
1 | C35 H53 N5 O12 | InChI=1S/C35H53N5O12/c1-2 3(21-29(42)36-25-14-9-12- 20-40(50)34(25)47)52-35(4 8)26(37-32(46)27-22-51-33 (38-27)24-13-7-8-16-28(24 )41)15-10-11-19-39(49)30( 43)17-5-3-2-4-6-18-31(44) 45/h7-8,13,16,23,25-27,35 ,41,48-50H,2-6,9-12,14-15 ,17-22H2,1H3,(H,36,42)(H, 37,46)(H,44,45)/t23-,25-, 26-,27-,35+/m0/s1; IAYIKQLBDQWIRR-QMSOLXAJSA-N |
C[CH](CC(=O)N[CH]1CCCCN(O)C1=O)O[CH](O)[ CH](CCCCN(O)C(=O)CCCCCCCC(O)=O)NC(=O)[CH ]2COC(=N2)c3ccccc3O; O=C(NC(CCCCN(O)C(=O )CCCCCCCC(=O)O)C(O)OC(C)CC(=O)NC1C(=O)N( O)CCCC1)C2N=C(OC2)c3c(O)cccc3; CC(CC(=O) NC1CCCCN(C1=O)O)OC(C(CCCCN(C(=O)CCCCCCCC (=O)O)O)NC(=O)C2COC(=N2)c3ccccc3O)O; C[C @@H](CC(=O)N[C@H]1CCCCN(C1=O)O)O[C@H]([C @H](CCCCN(C(=O)CCCCCCCC(=O)O)O)NC(=O)[C@ @H]2COC(=N2)c3ccccc3O)O; C[C@@H](CC(=O)N [C@H]1CCCCN(O)C1=O)O[C@@H](O)[C@H](CCCCN (O)C(=O)CCCCCCCC(O)=O)NC(=O)[C@@H]2COC(= N2)c3ccccc3O |
|
| 49740 | ZYH CHEMBL1615314 ZINC000064746721 |
1 | C25 H30 N6 O2 | InChI=1S/C25H30N6O2/c32-2 4(19-7-8-21-22(15-19)33-2 3(28-21)18-5-2-1-3-6-18)3 1-16-20(17-31)29-11-13-30 (14-12-29)25-26-9-4-10-27 -25/h4,7-10,15,18,20H,1-3 ,5-6,11-14,16-17H2; IABLYMUVWHQTGC-UHFFFAOYSA-N |
O=C(N1CC(C1)N2CCN(CC2)c3ncccn3)c4ccc5nc( oc5c4)C6CCCCC6; O=C(c1ccc2nc(oc2c1)C3CCC CC3)N6CC(N5CCN(c4ncccn4)CC5)C6; c1cnc(nc 1)N2CCN(CC2)C3CN(C3)C(=O)c4ccc5c(c4)oc(n 5)C6CCCCC6 |
(2-cyclohexyl-1,3-benzoxazol-6-yl){3-[4-(pyrimidin-2-yl)piperazin-1-yl]azetidin-1-yl}methanone |
| 49741 | ZYI CHEMBL1689794 |
2 | C14 H15 Cl N2 O2 | InChI=1S/C14H15ClN2O2/c15 -10-5-6-12-11(8-10)16-14( 19-12)17-13(18)7-9-3-1-2- 4-9/h5-6,8-9H,1-4,7H2,(H, 16,17,18); QXFNONNLQZPIAQ-UHFFFAOYSA-N |
Clc1ccc2oc(NC(=O)CC3CCCC3)nc2c1; c1cc2c( cc1Cl)nc(o2)NC(=O)CC3CCCC3; Clc1cc2nc(oc 2cc1)NC(=O)CC3CCCC3 |
N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide |
| 49742 | ZYJ ZINC000066157148 |
0 | C14 H18 N2 O5 | InChI=1S/C14H18N2O5/c1-19 -12-4-3-9(5-13(12)20-2)7- 16-21-10-6-11(14(17)18)15 -8-10/h3-5,7,10-11,15H,6, 8H2,1-2H3,(H,17,18)/b16-7 +/t10-,11+/m1/s1; JZPOVOVBIVKIMT-HJILZNIMSA-N |
O=C(O)C2NCC(O\N=C\c1ccc(OC)c(OC)c1)C2; C Oc1ccc(cc1OC)/C=N/O[C@@H]2C[C@H](NC2)C(= O)O; COc1ccc(cc1OC)C=NOC2CC(NC2)C(=O)O; COc1ccc(/C=N/O[C@H]2CN[C@@H](C2)C(O)=O)c c1OC; COc1ccc(C=NO[CH]2CN[CH](C2)C(O)=O) cc1OC |
(4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
| 49743 | ZYK ZINC000066157149 |
0 | C14 H18 N2 O6 | InChI=1S/C14H18N2O6/c1-20 -11-4-3-8(5-12(11)21-2)13 (17)16-22-9-6-10(14(18)19 )15-7-9/h3-5,9-10,15H,6-7 H2,1-2H3,(H,16,17)(H,18,1 9)/t9-,10+/m1/s1; WPKMWFSKVVSYBX-ZJUUUORDSA-N |
COc1ccc(cc1OC)C(=O)NO[C@H]2CN[C@@H](C2)C (O)=O; COc1ccc(cc1OC)C(=O)NO[CH]2CN[CH]( C2)C(O)=O; COc1ccc(cc1OC)C(=O)NO[C@@H]2C [C@H](NC2)C(=O)O; COc1ccc(cc1OC)C(=O)NOC 2CC(NC2)C(=O)O; O=C(NOC1CC(C(=O)O)NC1)c2 ccc(OC)c(OC)c2 |
(4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline; 3,4-dimethoxybenzamidoxy proline |
| 49744 | ZYL CHEMBL2063256 ZINC000084669316 |
1 | C19 H23 N O5 | InChI=1S/C19H23NO5/c1-2-3 -4-5-11-25-15-8-6-7-14(12 -15)13-20-10-9-16(21)17(1 8(20)22)19(23)24/h6-10,12 ,21H,2-5,11,13H2,1H3,(H,2 3,24); IEFKPWNGVIDYEA-UHFFFAOYSA-N |
O=C(O)C1=C(O)C=CN(C1=O)Cc2cc(OCCCCCC)ccc 2; CCCCCCOc1cccc(c1)CN2C=CC(=C(C2=O)C(=O )O)O; CCCCCCOc1cccc(CN2C=CC(=C(C(O)=O)C2 =O)O)c1 |
1-[3-(hexyloxy)benzyl]-4-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| 49745 | ZYM ZINC000084669313 |
1 | C19 H19 N O5 | InChI=1S/C19H19NO5/c21-17 (19(23)24)13-18(22)20-11- 5-7-14-6-4-10-16(12-14)25 -15-8-2-1-3-9-15/h1-4,6,8 -10,12H,5,7,11,13H2,(H,20 ,22)(H,23,24); SJGQLSMZNBWNEL-UHFFFAOYSA-N |
c1ccc(cc1)Oc2cccc(c2)CCCNC(=O)CC(=O)C(=O )O; O=C(O)C(=O)CC(=O)NCCCc2cc(Oc1ccccc1) ccc2; OC(=O)C(=O)CC(=O)NCCCc1cccc(Oc2ccc cc2)c1 |
2,4-dioxo-4-{[3-(3-phenoxyphenyl)propyl]amino}butanoic acid |
| 49746 | ZYN CHEMBL1237000 ZINC000034086839 |
1 | C21 H23 Cl F N3 O4 | InChI=1S/C21H23ClFN3O4/c1 -11(2)26-17(20(29)24(3)4) 13-7-8-25(19(28)16(13)18( 27)21(26)30)10-12-5-6-15( 23)14(22)9-12/h5-6,9,11,2 7H,7-8,10H2,1-4H3; HFCJYZIWLQSWGP-UHFFFAOYSA-N |
CC(C)N1C(=O)C(=C2C(=O)N(CCC2=C1C(=O)N(C) C)Cc3ccc(F)c(Cl)c3)O; Fc1ccc(cc1Cl)CN3C( =O)C2=C(O)C(=O)N(C(=C2CC3)C(=O)N(C)C)C(C )C; CC(C)N1C(=C2CCN(C(=O)C2=C(C1=O)O)Cc3 ccc(c(c3)Cl)F)C(=O)N(C)C |
6-(3-chloro-4-fluorobenzyl)-4-hydroxy-N,N-dimethyl-2-(1-methylethyl)-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxamide |
| 49747 | ZYO ZINC000103562908 |
1 | C22 H24 Cl F N6 O5 S | InChI=1S/C22H24ClFN6O5S/c 1-4-27-10-12(2)30-17-16(1 9(31)18(30)22(27)33)21(32 )28(11-13-5-6-15(24)14(23 )9-13)25-20(17)29-8-7-26( 3)36(29,34)35/h5-6,9,12,3 1H,4,7-8,10-11H2,1-3H3/t1 2-/m0/s1; DXTGTNDZQFNYNI-LBPRGKRZSA-N |
CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3 N4CC[N@](S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C; CCN1C[C@H](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c (Cl)c4)N=C(N5CCN(C)[S]5(=O)=O)c23)C1=O; CCN1CC(n2c3c(c(c2C1=O)O)C(=O)N(N=C3N4CCN (S4(=O)=O)C)Cc5ccc(c(c5)Cl)F)C; O=S5(=O) N(C1=NN(C(=O)c3c1n2c(C(=O)N(CC)CC2C)c3O) Cc4ccc(F)c(Cl)c4)CCN5C; CCN1C[CH](C)n2c( c(O)c3C(=O)N(Cc4ccc(F)c(Cl)c4)N=C(N5CCN( C)[S]5(=O)=O)c23)C1=O |
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-6-methyl-4-(5-methyl-1,1-dioxido-1,2,5-thiadiazolidin-2-yl)-7,8-dihydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-1,9(2H,6H)-dione |
| 49748 | ZYP CHEMBL414850 |
1 | C20 H19 F N4 O4 S | InChI=1S/C20H19FN4O4S/c21 -14-7-5-13(6-8-14)12-23-2 0(27)17-18(26)16-15(4-3-9 -22-16)19(24-17)25-10-1-2 -11-30(25,28)29/h3-9,26H, 1-2,10-12H2,(H,23,27); DIDKWCOCQJWMDJ-UHFFFAOYSA-N |
O=S4(=O)N(c2nc(C(=O)NCc1ccc(F)cc1)c(O)c3 ncccc23)CCCC4; c1cc2c(c(c(nc2N3CCCCS3(=O )=O)C(=O)NCc4ccc(cc4)F)O)nc1; Oc1c(nc(N2 CCCC[S]2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F) cc4 |
5-(1,1-dioxido-1,2-thiazinan-2-yl)-N-(4-fluorobenzyl)-8-hydroxy-1,6-naphthyridine-7-carboxamide |
| 49749 | ZYQ CHEMBL562743 DB08776 ZINC000008994842 |
1 | C9 H11 N3 O2 S | InChI=1S/C9H11N3O2S/c1-5( 13)11-9-12-6-3-2-4-10-8(1 4)7(6)15-9/h2-4H2,1H3,(H, 10,14)(H,11,12,13); OYHOEDBNAJPFKK-UHFFFAOYSA-N |
O=C1NCCCc2nc(sc12)NC(=O)C; CC(=O)Nc1nc2c (s1)C(=O)NCCC2; CC(=O)Nc1sc2C(=O)NCCCc2n 1 |
N-(4-OXO-5,6,7,8-TETRAHYDRO-4H-[1,3]THIAZOLO[5,4-C]AZEPIN-2-YL)ACETAMIDE |
| 49750 | ZYR CHEMBL539906 DB08777 ZINC000017920988 |
1 | C10 H10 N2 O S | InChI=1S/C10H10N2OS/c13-9 -8-6-3-1-2-4-7(6)14-10(8) 12-5-11-9/h5H,1-4H2,(H,11 ,12,13); NMMOEJUJKIXUQZ-UHFFFAOYSA-N |
C1CCc2c(c3c(s2)N=CNC3=O)C1; O=C1c2c3c(sc 2N=CN1)CCCC3; O=C1NC=Nc2sc3CCCCc3c12 |
5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE |
| 49751 | ZYS CHEMBL570537 DB08778 ZINC000001398629 |
1 | C14 H17 N3 O S | InChI=1S/C14H17N3OS/c1-14 (2,3)17-13-16-12(15)11(19 -13)10(18)9-7-5-4-6-8-9/h 4-8H,15H2,1-3H3,(H,16,17); KEHNGAHNKVLUSC-UHFFFAOYSA-N |
CC(C)(C)Nc1sc(c(N)n1)C(=O)c2ccccc2; O=C( c1sc(nc1N)NC(C)(C)C)c2ccccc2; CC(C)(C)Nc 1nc(c(s1)C(=O)c2ccccc2)N |
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone |
| 49752 | ZYT DB08779 ZINC000100037029 |
1 | C9 H10 N2 O S2 | InChI=1S/C9H10N2OS2/c1-13 -9-10-7(8(12)11-9)5-6-3-2 -4-14-6/h2-4,12H,5H2,1H3, (H,10,11); QWYGHJVEZLVLSU-UHFFFAOYSA-N |
CSc1[nH]c(Cc2sccc2)c(O)n1; CSc1[nH]c(c(n 1)O)Cc2cccs2; Oc1nc(SC)nc1Cc2sccc2 |
2-(methylsulfanyl)-5-(thiophen-2-ylmethyl)-1H-imidazol-4-ol |
| 49753 | ZYU CHEMBL271138 DB08780 ZINC000018107770 |
1 | C9 H11 N5 O | InChI=1S/C9H11N5O/c1-3-15 -4-2-14(1)9-7-8(11-5-10-7 )12-6-13-9/h5-6H,1-4H2,(H ,10,11,12,13); MEOMXKNIFWDDGZ-UHFFFAOYSA-N |
C1CN(CCO1)c2ncnc3[nH]cnc23; n2cnc1c(ncn1 )c2N3CCOCC3; c1[nH]c2c(n1)c(ncn2)N3CCOCC 3 |
6-MORPHOLIN-4-YL-9H-PURINE; 4-(9H-PURIN-6-YL)MORPHOLINE |
| 49754 | ZYV ZINC000039001860 |
1 | C10 H14 N6 O | InChI=1S/C10H14N6O/c11-3- 7-4-16(1-2-17-7)10-8-9(13 -5-12-8)14-6-15-10/h5-7H, 1-4,11H2,(H,12,13,14,15)/ t7-/m0/s1; VNGSDLIBIYNHKQ-ZETCQYMHSA-N |
NC[CH]1CN(CCO1)c2ncnc3nc[nH]c23; n1cnc3n cnc3c1N2CC(OCC2)CN; NC[C@H]1CN(CCO1)c2nc nc3nc[nH]c23; c1[nH]c2c(n1)ncnc2N3CCOC(C 3)CN; c1[nH]c2c(n1)ncnc2N3CCO[C@H](C3)CN |
1-[(2S)-4-(7H-PURIN-6-YL)MORPHOLIN-2-YL]METHANAMINE; (4-(9H-PURIN-6-YL)MORPHOLIN-2-YL)METHANAMINE |
| 49755 | ZYW DB08781 ZINC000039001861 |
1 | C11 H14 Br N5 O | InChI=1S/C11H14BrN5O/c12- 9-5-14-11-8(4-15-16-11)10 (9)17-1-2-18-7(3-13)6-17/ h4-5,7H,1-3,6,13H2,(H,14, 15,16)/t7-/m0/s1; BJUBFXSKTBULRW-ZETCQYMHSA-N |
c1c2c(c(cnc2[nH]n1)Br)N3CCOC(C3)CN; Brc1 cnc3c(c1N2CC(OCC2)CN)cnn3; c1c2c(c(cnc2[ nH]n1)Br)N3CCO[C@H](C3)CN; NC[CH]1CN(CCO 1)c2c(Br)cnc3[nH]ncc23; NC[C@H]1CN(CCO1) c2c(Br)cnc3[nH]ncc23 |
1-[(2S)-4-(5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)MORPHOLIN-2-YL]METHANAMINE |
| 49756 | ZYX CHEMBL7087 DB08782 ZINC000000056629 |
5 | C8 H12 N2 O2 S | InChI=1S/C8H12N2O2S/c9-6- 5-7-1-3-8(4-2-7)13(10,11) 12/h1-4H,5-6,9H2,(H2,10,1 1,12); FXNSVEQMUYPYJS-UHFFFAOYSA-N |
c1cc(ccc1CCN)S(=O)(=O)N; NCCc1ccc(cc1)[S ](N)(=O)=O; O=S(=O)(c1ccc(cc1)CCN)N |
4-(2-AMINOETHYL)BENZENESULFONAMIDE; P-AMINOETHYL BENZENESULFONAMIDE |
| 49757 | ZYY ZINC000035985610 |
1 | C22 H26 F N5 O5 S | InChI=1S/C22H26FN5O5S/c1- 12(2)26-10-13(3)28-17-16( 19(29)18(28)22(26)31)21(3 0)27(11-14-6-8-15(23)9-7- 14)24-20(17)25(4)34(5,32) 33/h6-9,12-13,29H,10-11H2 ,1-5H3/t13-/m0/s1; ITPCGSTZGSTIFB-ZDUSSCGKSA-N |
O=S(=O)(N(C3=NN(C(=O)c2c3n1c(C(=O)N(CC1C )C(C)C)c2O)Cc4ccc(F)cc4)C)C; CC1CN(C(=O) c2n1c3c(c2O)C(=O)N(N=C3N(C)S(=O)(=O)C)Cc 4ccc(cc4)F)C(C)C; CC(C)N1C[CH](C)n2c(c(O )c3C(=O)N(Cc4ccc(F)cc4)N=C(N(C)[S](C)(=O )=O)c23)C1=O; CC(C)N1C[C@H](C)n2c(c(O)c3 C(=O)N(Cc4ccc(F)cc4)N=C(N(C)[S](C)(=O)=O )c23)C1=O; C[C@H]1CN(C(=O)c2n1c3c(c2O)C( =O)N(N=C3N(C)S(=O)(=O)C)Cc4ccc(cc4)F)C(C )C |
N-[(6S)-2-(4-fluorobenzyl)-10-hydroxy-6-methyl-8-(1-methylethyl)-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazin-4-yl]-N-methylmethanesulfonamide |
| 49758 | ZYZ DB08783 |
1 | C16 H23 N O6 Se | InChI=1S/C16H23NO6Se/c1-1 6(2,3)23-15(19)17-13(14(1 8)22-4)9-11-5-7-12(8-6-11 )10-24(20)21/h5-8,13H,9-1 0H2,1-4H3,(H,17,19)(H,20, 21)/t13-/m0/s1; CEUSGDKNGCAEAX-ZDUSSCGKSA-N |
O=C(OC(C)(C)C)NC(C(=O)OC)Cc1ccc(cc1)C[Se ](=O)O; CC(C)(C)OC(=O)N[C@@H](Cc1ccc(cc1 )C[Se](=O)O)C(=O)OC; COC(=O)[C@H](Cc1ccc (C[Se](O)=O)cc1)NC(=O)OC(C)(C)C; CC(C)(C )OC(=O)NC(Cc1ccc(cc1)C[Se](=O)O)C(=O)OC; COC(=O)[CH](Cc1ccc(C[Se](O)=O)cc1)NC(=O )OC(C)(C)C |
(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid |
| 49759 | ZZ0 CHEMBL1237007 DB08784 ZINC000001329537 |
1 | C12 H9 Cl N2 O2 | InChI=1S/C12H9ClN2O2/c13- 8-3-5-9(6-4-8)15-11-10(12 (16)17)2-1-7-14-11/h1-7H, (H,14,15)(H,16,17); YEXIXVLEDGNAKM-UHFFFAOYSA-N |
Clc1ccc(cc1)Nc2ncccc2C(=O)O; c1cc(c(nc1) Nc2ccc(cc2)Cl)C(=O)O; OC(=O)c1cccnc1Nc2c cc(Cl)cc2 |
2-(4-CHLORO-PHENYLAMINO)-NICOTINIC ACID; 2-[(4-CHLOROPHENYL)AMINO]PYRIDINE-3-CARBOXYLIC ACID |
| 49760 | ZZ1 CHEMBL12279 DB08785 ZINC000000300858 |
7 | C10 H8 O2 | InChI=1S/C10H8O2/c1-7-6-1 0(11)12-9-5-3-2-4-8(7)9/h 2-6H,1H3; PSGQCCSGKGJLRL-UHFFFAOYSA-N |
O=C2Oc1ccccc1C(=C2)C; CC1=CC(=O)Oc2c1ccc c2; CC1=CC(=O)Oc2ccccc12 |
4-METHYL-2H-CHROMEN-2-ONE; 4-METHYLUMBELLIFERYL |
| 49761 | ZZ2 CHEMBL538937 DB08786 |
1 | C8 H13 N3 O2 | InChI=1S/C8H13N3O2/c1-6-5 -7(11-8(9)10-6)13-4-3-12- 2/h5H,3-4H2,1-2H3,(H2,9,1 0,11); VCJHOFUOIQHNBC-UHFFFAOYSA-N |
O(c1nc(nc(c1)C)N)CCOC; Cc1cc(nc(n1)N)OCC OC; COCCOc1cc(C)nc(N)n1 |
4-(2-methoxyethoxy)-6-methylpyrimidin-2-amine; 4-(2-methoxy-ethoxy)-6-methyl-pyrimidine-2-ylamine |
| 49762 | ZZ3 CHEMBL541949 ZINC000000076642 |
4 | C5 H8 N4 S | InChI=1S/C5H8N4S/c1-3-7-4 (6)9-5(8-3)10-2/h1-2H3,(H 2,6,7,8,9); CQORBMDQIUWHGC-UHFFFAOYSA-N |
Cc1nc(nc(n1)SC)N; CSc1nc(C)nc(N)n1; S(c1 nc(nc(n1)N)C)C |
4-METHYL-6-(METHYLSULFANYL)-1,3,5-TRIAZIN-2-AMINE |
| 49763 | ZZ4 CHEMBL549340 DB08787 ZINC000100037036 |
1 | C16 H11 Cl2 N5 | InChI=1S/C16H11Cl2N5/c17- 10-6-7-12(13(18)8-10)15-1 4(9-20-16(19)21-15)23-22- 11-4-2-1-3-5-11/h1-9H,(H2 ,19,20,21)/b23-22+; UNJMNJFPEVJCQK-GHVJWSGMSA-N |
c1ccc(cc1)N=Nc2cnc(nc2c3ccc(cc3Cl)Cl)N; Nc1ncc(N=Nc2ccccc2)c(n1)c3ccc(Cl)cc3Cl; Clc1ccc(c(Cl)c1)c3nc(ncc3/N=N/c2ccccc2)N ; c1ccc(cc1)/N=N/c2cnc(nc2c3ccc(cc3Cl)Cl )N |
4-(2,4-dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine; 4-(2,4-DICHLORO-PHEYL)-5-PHENYLAZO-PYRIMIDIN-2YLAMINE |
| 49764 | ZZ5 CHEMBL554496 DB08788 ZINC000019940178 |
1 | C17 H15 N5 O2 S | InChI=1S/C17H15N5O2S/c1-2 -24-9-5-3-8(4-6-9)11-10(7 -18)15(20)22-17-12(11)13( 19)14(25-17)16(21)23/h3-6 H,2,19H2,1H3,(H2,20,22)(H 2,21,23); UOPQHPBCVYHSFF-UHFFFAOYSA-N |
N#Cc1c(c2c(nc1N)sc(c2N)C(=O)N)c3ccc(OCC) cc3; CCOc1ccc(cc1)c2c(c(nc3c2c(c(s3)C(=O )N)N)N)C#N; CCOc1ccc(cc1)c2c(C#N)c(N)nc3 sc(C(N)=O)c(N)c23 |
3,6-DIAMINO-5-CYANO-4-(4-ETHOXYPHENYL)THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE |
| 49765 | ZZ6 CHEMBL563168 DB08789 ZINC000036966108 |
1 | C15 H12 Cl2 N4 O S | InChI=1S/C15H12Cl2N4OS/c1 -2-19-13(22)11-6-9-12(20- 15(18)21-14(9)23-11)8-4-3 -7(16)5-10(8)17/h3-6H,2H2 ,1H3,(H,19,22)(H2,18,20,2 1); YPEOXUOUTBMBCX-UHFFFAOYSA-N |
CCNC(=O)c1sc2nc(N)nc(c3ccc(Cl)cc3Cl)c2c1 ; Clc3ccc(c1nc(nc2sc(cc12)C(=O)NCC)N)c(C l)c3; CCNC(=O)c1cc2c(nc(nc2s1)N)c3ccc(cc 3Cl)Cl |
2-AMINO-4-(2,4-DICHLOROPHENYL)-N-ETHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXAMIDE |
| 49766 | ZZ7 CHEMBL1237008 ZINC000034064298 |
40 | C16 H21 N3 O5 S | InChI=1S/C16H21N3O5S/c1-1 6(2)11(15(23)24)19-13(25- 16)10(14(21)22)18-12(20)9 (17)8-6-4-3-5-7-8/h3-7,9- 11,13,19H,17H2,1-2H3,(H,1 8,20)(H,21,22)(H,23,24)/t 9-,10+,11+,13-/m1/s1; KDAWOPKDXRJNHV-MPPDQPJWSA-N |
CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O) [C@H](N)c2ccccc2)C(O)=O; O=C(NC(C(=O)O)C 1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N; CC1(C (NC(S1)C(C(=O)O)NC(=O)C(c2ccccc2)N)C(=O) O)C; CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O) NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; CC1(C) S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH](N)c2c cccc2)C(O)=O |
(2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid; AMPICILLIN (open form) |
| 49767 | ZZ8 ZINC000000037858 |
6 | C9 H9 N O3 | InChI=1S/C9H9NO3/c1-6(11) 10-8-5-3-2-4-7(8)9(12)13/ h2-5H,1H3,(H,10,11)(H,12, 13); QSACCXVHEVWNMX-UHFFFAOYSA-N |
O=C(Nc1ccccc1C(=O)O)C; CC(=O)Nc1ccccc1C( O)=O; CC(=O)Nc1ccccc1C(=O)O |
2-(ACETYLAMINO)BENZOIC ACID; N-ACETYLANTHRANILATE |
| 49768 | ZZ9 ZINC000058661296 |
0 | C21 H36 N5 O8 P | InChI=1S/C21H36N5O8P/c1-2 -3-4-5-6-7-8-9-10-15(27)3 4-35(30,31)32-11-14-17(28 )18(29)21(33-14)26-13-25- 16-19(22)23-12-24-20(16)2 6/h12-15,17-18,21,27-29H, 2-11H2,1H3,(H,30,31)(H2,2 2,23,24)/t14-,15-,17-,18- ,21-/m1/s1; DGBHISUNYLJTLF-SQDDPSDBSA-N |
CCCCCCCCCCC(O)OP(=O)(O)OCC1C(C(C(O1)n2cn c3c2ncnc3N)O)O; CCCCCCCCCC[C@H](O)O[P@@] (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2 cnc3c2ncnc3N)O)O; O=P(O)(OC(O)CCCCCCCCCC )OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCCCCC CCCC[CH](O)O[P](O)(=O)OC[CH]1O[CH]([CH]( O)[CH]1O)n2cnc3c(N)ncnc23; CCCCCCCCCC[C@ H](O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O) [C@@H]1O)n2cnc3c(N)ncnc23 |
5'-O-[(S)-hydroxy{[(1R)-1-hydroxyundecyl]oxy}phosphoryl]adenosine |
| 49769 | ZZA CHEMBL406105 DB08790 ZINC000004218283 |
2 | C10 H8 N2 O2 | InChI=1S/C10H8N2O2/c13-10 (14)8-6-11-12(7-8)9-4-2-1 -3-5-9/h1-7H,(H,13,14); ZROILLPDIUNLSE-UHFFFAOYSA-N |
OC(=O)c1cnn(c1)c2ccccc2; c1ccc(cc1)n2cc( cn2)C(=O)O; O=C(O)c1cn(nc1)c2ccccc2 |
1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID |
| 49770 | ZZB ZINC000263620651 |
1 | C19 H22 B F N6 O8 P | InChI=1S/C19H22BFN6O8P/c1 -2-23-12-4-10-9(3-11(12)2 1)5-31-20(10)34-15-13(6-3 2-36(28,29)30)33-19(16(15 )35-20)27-8-26-14-17(22)2 4-7-25-18(14)27/h3-4,7-8, 13,15-16,19,23H,2,5-6H2,1 H3,(H2,22,24,25)(H2,28,29 ,30)/q-1/t13-,15-,16-,19- ,20+/m1/s1; KLENTOAZKNOXCI-JNRNKGNBSA-N |
CCNc1cc2c(CO[B-]23O[CH]4[CH](CO[P](O)(O) =O)O[CH]([CH]4O3)n5cnc6c(N)ncnc56)cc1F; [B-]12(c3cc(c(cc3CO1)F)NCC)OC4C(OC(C4O2) n5cnc6c5ncnc6N)COP(=O)(O)O; CCNc1cc2c(CO [B-]23O[C@@H]4[C@@H](CO[P](O)(O)=O)O[C@H ]([C@@H]4O3)n5cnc6c(N)ncnc56)cc1F; [B@@- ]12(c3cc(c(cc3CO1)F)NCC)O[C@@H]4[C@H](O[ C@H]([C@@H]4O2)n5cnc6c5ncnc6N)COP(=O)(O) O |
[(1S,3S,5R,6R,8R)-6-(6-AMINOPURIN-9-YL)-4'-ETHYLAMINO-3'-FLUORO-SPIRO[2,4,7-TRIOXA-3-BORANUIDABICYCLO[3.3.0]OCTANE-3,7'-8-OXA-7-BORANUIDABICYCLO[4.3.0]NONA-1,3,5-TRIENE]-8-YL]METHYL DIHYDROGEN PHOSPHATE |
| 49771 | ZZC | 7 | C15 H21 N5 O13 P2 | InChI=1S/C15H23N5O13P2/c1 -6(21)10(23)7(22)2-30-34( 26,27)33-35(28,29)31-3-8- 11(24)12(25)15(32-8)20-5- 19-9-13(16)17-4-18-14(9)2 0/h4-5,7-8,10-12,15,22-25 H,2-3H2,1H3,(H,26,27)(H,2 8,29)(H2,16,17,18)/p-2/t7 -,8-,10+,11-,12-,15-/m1/s 1; IZTPERUWNZCNNH-GHVQHMAVSA-L |
CC(=O)C(C(COP(=O)([O-])OP(=O)([O-])OCC1C (C(C(O1)n2cnc3c2ncnc3N)O)O)O)O; CC(=O)[C @H](O)[C@H](O)CO[P]([O-])(=O)O[P]([O-])( =O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc 3c(N)ncnc23; CC(=O)[C@@H]([C@@H](CO[P@]( =O)([O-])O[P@@](=O)([O-])OC[C@@H]1[C@H]( [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)O)O; CC(=O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P]( [O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cn c3c(N)ncnc23 |
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [[(2R,3R)-2,3-DIHYDROXY-4-OXO-PENTOXY]-OXIDO-PHOSPHORYL] PHOSPHATE |
| 49772 | ZZD CHEMBL392695 ZINC000003861261 |
4 | C22 H21 N O2 S | InChI=1S/C22H21NO2S/c23-2 0(21(24)25)16-26-22(17-10 -4-1-5-11-17,18-12-6-2-7- 13-18)19-14-8-3-9-15-19/h 1-15,20H,16,23H2,(H,24,25 )/t20-/m0/s1; DLMYFMLKORXJPO-FQEVSTJZSA-N |
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)SC[C@@H]( C(=O)O)N; c1ccc(cc1)C(c2ccccc2)(c3ccccc3 )SCC(C(=O)O)N; N[C@@H](CSC(c1ccccc1)(c2c cccc2)c3ccccc3)C(O)=O; N[CH](CSC(c1ccccc 1)(c2ccccc2)c3ccccc3)C(O)=O; O=C(O)C(N)C SC(c1ccccc1)(c2ccccc2)c3ccccc3 |
S-TRITYL-L-CYSTEINE |
| 49773 | ZZE CHEMBL571987 DB11649 ZINC000001912267 |
2 | C17 H18 N4 O2 | InChI=1S/C17H18N4O2/c1-3- 15-17(16(4-2)21(20-15)5-6 -22)23-14-8-12(10-18)7-13 (9-14)11-19/h7-9,22H,3-6H 2,1-2H3; MCPUZZJBAHRIPO-UHFFFAOYSA-N |
N#Cc2cc(Oc1c(nn(c1CC)CCO)CC)cc(C#N)c2; C Cc1c(c(n(n1)CCO)CC)Oc2cc(cc(c2)C#N)C#N; CCc1nn(CCO)c(CC)c1Oc2cc(cc(c2)C#N)C#N |
5-{[3,5-diethyl-1-(2-hydroxyethyl)-1H-pyrazol-4-yl]oxy}benzene-1,3-dicarbonitrile |
| 49774 | ZZF CHEMBL585367 ZINC000039001864 |
1 | C18 H18 N4 O3 S | InChI=1S/C18H18N4O3S/c1-1 2-3-8-17(13(2)21-12)25-15 -9-10-20-18(11-15)22-14-4 -6-16(7-5-14)26(19,23)24/ h3-11H,1-2H3,(H,20,22)(H2 ,19,23,24); UEOZXMAOIHDDQE-UHFFFAOYSA-N |
O=S(=O)(N)c1ccc(cc1)Nc3nccc(Oc2ccc(nc2C) C)c3; Cc1ccc(c(n1)C)Oc2ccnc(c2)Nc3ccc(cc 3)S(=O)(=O)N; Cc1ccc(Oc2ccnc(Nc3ccc(cc3) [S](N)(=O)=O)c2)c(C)n1 |
4-({4-[(2,6-DIMETHYLPYRIDIN-3-YL)OXY]PYRIDIN-2-YL}AMINO)BENZENESULFONAMIDE |
| 49775 | ZZG CHEMBL575099 ZINC000039001863 |
1 | C26 H26 N4 O4 | InChI=1S/C26H26N4O4/c1-16 -12-21(25(29-17(16)2)20-8 -6-7-10-27-20)34-19-9-11- 28-24(15-19)30-18-13-22(3 1-3)26(33-5)23(14-18)32-4 /h6-15H,1-5H3,(H,28,30); RNLQQRFAMDEKKT-UHFFFAOYSA-N |
Cc1cc(c(nc1C)c2ccccn2)Oc3ccnc(c3)Nc4cc(c (c(c4)OC)OC)OC; COc1cc(Nc2cc(Oc3cc(C)c(C )nc3c4ccccn4)ccn2)cc(OC)c1OC; n1ccccc1c4 nc(c(cc4Oc3ccnc(Nc2cc(OC)c(OC)c(OC)c2)c3 )C)C |
4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE |
| 49776 | ZZH CHEMBL489074 ZINC000045284038 |
1 | C22 H20 O3 | InChI=1S/C22H20O3/c23-22( 24)21(16-18-9-5-2-6-10-18 )25-20-13-11-19(12-14-20) 15-17-7-3-1-4-8-17/h1-14, 21H,15-16H2,(H,23,24)/t21 -/m0/s1; YVAQXSJDDQRTTP-NRFANRHFSA-N |
c1ccc(cc1)Cc2ccc(cc2)O[C@@H](Cc3ccccc3)C (=O)O; OC(=O)[C@H](Cc1ccccc1)Oc2ccc(Cc3c cccc3)cc2; c1ccc(cc1)Cc2ccc(cc2)OC(Cc3cc ccc3)C(=O)O; O=C(O)C(Oc1ccc(cc1)Cc2ccccc 2)Cc3ccccc3; OC(=O)[CH](Cc1ccccc1)Oc2ccc (Cc3ccccc3)cc2 |
(2S)-2-(4-benzylphenoxy)-3-phenylpropanoic acid |
| 49777 | ZZI ZINC000058650004 |
4 | C10 H21 N O4 | InChI=1S/C10H21NO4/c1-3-5 -11(6-4-2)10(15)9(14)8(13 )7-12/h8-9,12-14H,3-7H2,1 -2H3/t8-,9-/m1/s1; JYHQCIGUBKFYNN-RKDXNWHRSA-N |
CCCN(CCC)C(=O)[C@@H]([C@@H](CO)O)O; CCCN (CCC)C(=O)[C@H](O)[C@H](O)CO; CCCN(CCC)C (=O)[CH](O)[CH](O)CO; CCCN(CCC)C(=O)C(C( CO)O)O; O=C(N(CCC)CCC)C(O)C(O)CO |
(2R,3R)-2,3,4-TRIHYDROXY-N,N-DIPROPYLBUTANAMIDE |
| 49778 | ZZJ ZINC000020307999 |
0 | C4 H10 N2 O | InChI=1S/C4H10N2O/c1-3(6- 2)4(5)7/h3,6H,1-2H3,(H2,5 ,7)/t3-/m0/s1; QKNFFJHHPCWXTH-VKHMYHEASA-N |
CN[CH](C)C(N)=O; CN[C@@H](C)C(N)=O; O=C( N)C(NC)C; CC(C(=O)N)NC; C[C@@H](C(=O)N)N C |
N^2^-methyl-L-alaninamide |
| 49779 | ZZK CHEMBL590335 ZINC000045338211 |
1 | C19 H15 N3 O3 | InChI=1S/C19H15N3O3/c20-1 8-15(11-4-6-12(7-5-11)19( 21)23)8-13(9-22-18)14-2-1 -3-16-17(14)25-10-24-16/h 1-9H,10H2,(H2,20,22)(H2,2 1,23); UBOGEBHIZSQBBD-UHFFFAOYSA-N |
O=C(N)c1ccc(cc1)c4cc(c2cccc3OCOc23)cnc4N ; c1cc(c2c(c1)OCO2)c3cc(c(nc3)N)c4ccc(cc 4)C(=O)N; NC(=O)c1ccc(cc1)c2cc(cnc2N)c3c ccc4OCOc34 |
4-[2-AMINO-5-(1,3-BENZODIOXOL-4-YL)PYRIDIN-3-YL]BENZAMIDE |
| 49780 | ZZL CHEMBL259084 DB13061 ZINC000018825334 |
7 | C25 H15 Cl F2 N4 O2 | InChI=1S/C25H15ClF2N4O2/c 26-15-6-9-17-18(10-15)23( 21-19(27)2-1-3-20(21)28)2 9-11-14-12-30-25(32-22(14 )17)31-16-7-4-13(5-8-16)2 4(33)34/h1-10,12H,11H2,(H ,33,34)(H,30,31,32); HHFBDROWDBDFBR-UHFFFAOYSA-N |
c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4) Cl)Nc5ccc(cc5)C(=O)O)F; OC(=O)c1ccc(Nc2n cc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc 1; Fc5cccc(F)c5C2=NCc1cnc(nc1c3ccc(Cl)cc 23)Nc4ccc(C(=O)O)cc4 |
4-{[9-CHLORO-7-(2,6-DIFLUOROPHENYL)-5H-PYRIMIDO[5,4-D][2]BENZAZEPIN-2-YL]AMINO}BENZOIC ACID |
| 49781 | ZZM CHEMBL1213119 ZINC000058541984 |
1 | C15 H14 N6 | InChI=1S/C15H14N6/c1-10(2 )21-15-13(14(16)18-9-19-1 5)12(20-21)6-5-11-4-3-7-1 7-8-11/h3-4,7-10H,1-2H3,( H2,16,18,19); NYVMTNNWZOHTJT-UHFFFAOYSA-N |
CC(C)n1c2c(c(n1)C#Cc3cccnc3)c(ncn2)N; CC (C)n1nc(C#Cc2cccnc2)c3c(N)ncnc13; n1c(c3 c(nc1)n(nc3C#Cc2cccnc2)C(C)C)N |
1-(1-METHYLETHYL)-3-(PYRIDIN-3-YLETHYNYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE |
| 49782 | ZZN CHEMBL1213084 ZINC000051768787 |
1 | C28 H22 F N7 O2 | InChI=1S/C28H22FN7O2/c1-1 5-6-3-4-9-21(15)36-22(33- 20-8-5-7-16(2)23(20)28(36 )38)13-35-27-24(26(30)31- 14-32-27)25(34-35)17-10-1 8(29)12-19(37)11-17/h3-12 ,14,37H,13H2,1-2H3,(H2,30 ,31,32); AUNMZFMPIXHYCD-UHFFFAOYSA-N |
Fc6cc(c2nn(c1ncnc(c12)N)CC4=Nc5cccc(c5C( =O)N4c3ccccc3C)C)cc(O)c6; Cc1ccccc1N2C(= Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)c6cc(cc(c6) F)O)c(ncn5)N; Cc1ccccc1N2C(=Nc3cccc(C)c3 C2=O)Cn4nc(c5cc(O)cc(F)c5)c6c(N)ncnc46 |
2-{[4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
| 49783 | ZZO CHEMBL1213085 ZINC000051768788 |
1 | C28 H22 F N7 O2 | InChI=1S/C28H22FN7O2/c1-1 5-6-3-4-9-20(15)36-22(33- 19-8-5-7-16(2)23(19)28(36 )38)13-35-27-24(26(30)31- 14-32-27)25(34-35)17-10-1 1-21(37)18(29)12-17/h3-12 ,14,37H,13H2,1-2H3,(H2,30 ,31,32); TYLTZPAGUBOPCU-UHFFFAOYSA-N |
Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c( n4)c6ccc(c(c6)F)O)c(ncn5)N; Cc1ccccc1N2C (=Nc3cccc(C)c3C2=O)Cn4nc(c5ccc(O)c(F)c5) c6c(N)ncnc46; Fc6c(O)ccc(c2nn(c1ncnc(c12 )N)CC4=Nc5cccc(c5C(=O)N4c3ccccc3C)C)c6 |
2-{[4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one |
| 49784 | ZZP ZINC000103563001 |
1 | C22 H19 F N4 O4 S | InChI=1S/C22H19FN4O4S/c1- 30-16-11-15(12-17(13-16)3 1-2)24-21-22(26-20-6-4-3- 5-19(20)25-21)27-32(28,29 )18-9-7-14(23)8-10-18/h3- 11,13H,12H2,1-2H3,(H,26,2 7)/b24-15+; WCHXKEIXBGDHMP-BUVRLJJBSA-N |
COC1=CC(=CC(=Nc2c(nc3ccccc3n2)NS(=O)(=O) c4ccc(cc4)F)C1)OC; COC1=CC(=CC(C1)=Nc2nc 3ccccc3nc2N[S](=O)(=O)c4ccc(F)cc4)OC; Fc 1ccc(cc1)S(=O)(=O)Nc3nc4ccccc4nc3\N=C2/C =C(OC)C=C(OC)C2; COC1=CC(=C/C(=N\c2c(nc3 ccccc3n2)NS(=O)(=O)c4ccc(cc4)F)/C1)OC |
N-(3-{[(1Z)-3,5-DIMETHOXYCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}QUINOXALIN-2-YL)-4-FLUOROBENZENESULFONAMIDE |
| 49785 | ZZQ CHEMBL1213169 ZINC000058548010 |
1 | C25 H23 N5 O3 S | InChI=1S/C25H23N5O3S/c1-3 3-22-9-5-4-8-21(22)30-24( 32)17-6-2-3-7-18(17)29-25 (30)34-15-23(31)28-16-10- 11-19-20(14-16)27-13-12-2 6-19/h4-5,8-14H,2-3,6-7,1 5H2,1H3,(H,28,31); AXVDURNCPXUGDZ-UHFFFAOYSA-N |
COc1ccccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)N c4ccc5c(c4)nccn5; O=C3C5=C(N=C(SCC(=O)Nc 2cc1nccnc1cc2)N3c4ccccc4OC)CCCC5; COc1cc ccc1N2C(=O)C3=C(CCCC3)N=C2SCC(=O)Nc4ccc5 nccnc5c4 |
2-{[3-(2-METHOXYPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDROQUINAZOLIN-2-YL]SULFANYL}-N-QUINOXALIN-6-YLACETAMIDE |
| 49786 | ZZR ZINC000103563006 |
0 | C3 H6 N7 | InChI=1S/C3H5N7/c4-1-6-3- 8-7-2(5)10(3)9-1/h(H5,4,5 ,6,7,8,9)/p+1; JFMHNXXJHXPFLE-UHFFFAOYSA-O |
Nc1[nH][n+]2c(N)n[nH]c2n1; n1c(N)n[n+]2c (nnc12)N; c1([nH][n+]2c(n[nH]c2n1)N)N |
3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium |
| 49787 | ZZS ZINC000001445475 |
0 | C3 H5 N5 | InChI=1S/C3H5N5/c4-2-6-1- 7-3(5)8-2/h1H,(H4,4,5,6,7 ,8); VZXTWGWHSMCWGA-UHFFFAOYSA-N |
n1c(nc(nc1)N)N; c1nc(nc(n1)N)N; Nc1ncnc( N)n1 |
1,3,5-TRIAZINE-2,4-DIAMINE |
| 49788 | ZZT CHEMBL398755 ZINC000000157578 |
4 | C8 H11 N O | InChI=1S/C8H11NO/c1-6-3-4 -8(10-2)7(9)5-6/h3-5H,9H2 ,1-2H3; WXWCDTXEKCVRRO-UHFFFAOYSA-N |
COc1ccc(C)cc1N; O(c1ccc(cc1N)C)C; Cc1ccc (c(c1)N)OC |
2-METHOXY-5-METHYLANILINE |
| 49789 | ZZU ZINC000013352215 |
9 | C6 H14 N4 O3 | InChI=1S/C6H14N4O3/c7-4(5 (12)13)3(11)1-2-10-6(8)9/ h3-4,11H,1-2,7H2,(H,12,13 )(H4,8,9,10)/t3-,4-/m0/s1; VIDUVSPOWYVZIC-IMJSIDKUSA-N |
C(CNC(=N)N)C(C(C(=O)O)N)O; O=C(O)C(N)C(O )CCNC(=[N@H])N; N[CH]([CH](O)CCNC(N)=N)C (O)=O; N[C@@H]([C@@H](O)CCNC(N)=N)C(O)=O ; C(CNC(=N)N)[C@@H]([C@@H](C(=O)O)N)O |
(2S,3S)-3-HYDROXYARGININE |
| 49790 | ZZV CHEMBL513189 ZINC000035078403 |
1 | C20 H18 F N3 O4 S | InChI=1S/C20H18FN3O4S/c1- 23(29(2,27)28)18-14-4-3-9 -22-17(14)19(25)16-15(18) 11-24(20(16)26)10-12-5-7- 13(21)8-6-12/h3-9,25H,10- 11H2,1-2H3; RJWBOLLTMJMYNV-UHFFFAOYSA-N |
C[N@@](c1c2cccnc2c(c3c1CN(C3=O)Cc4ccc(cc 4)F)O)S(=O)(=O)C; CN(c1c2CN(Cc3ccc(F)cc3 )C(=O)c2c(O)c4ncccc14)[S](C)(=O)=O; O=S( =O)(N(c2c1cccnc1c(O)c3c2CN(C3=O)Cc4ccc(F )cc4)C)C; CN(c1c2cccnc2c(c3c1CN(C3=O)Cc4 ccc(cc4)F)O)S(=O)(=O)C |
N-[7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide |
| 49791 | ZZW ZINC000003818683 |
1 | C19 H14 F N3 O2 | InChI=1S/C19H14FN3O2/c20- 13-7-5-12(6-8-13)11-23-17 -4-2-1-3-14(17)15-9-16(19 (24)22-25)21-10-18(15)23/ h1-10,25H,11H2,(H,22,24); ADHFMENDOUEJRK-UHFFFAOYSA-N |
c1ccc2c(c1)c3cc(ncc3n2Cc4ccc(cc4)F)C(=O) NO; ONC(=O)c1cc2c(cn1)n(Cc3ccc(F)cc3)c4c cccc24; Fc1ccc(cc1)Cn3c4c(c2cc(ncc23)C(= O)NO)cccc4 |
9-(4-fluorobenzyl)-N-hydroxy-9H-beta-carboline-3-carboxamide |
| 49792 | ZZX CHEMBL1237018 ZINC000035801891 |
10 | C21 H21 Cl F N5 O4 | InChI=1S/C21H21ClFN5O4/c1 -4-26-8-10(2)28-16-14(18( 29)17(28)21(26)32)20(31)2 7(25-15(16)19(30)24-3)9-1 1-5-6-13(23)12(22)7-11/h5 -7,10,29H,4,8-9H2,1-3H3,( H,24,30)/t10-/m0/s1; JSRREMIKIHJGAA-JTQLQIEISA-N |
CCN1C[C@@H](n2c3c(c(c2C1=O)O)C(=O)N(N=C3 C(=O)NC)Cc4ccc(c(c4)Cl)F)C; CCN1CC(n2c3c (c(c2C1=O)O)C(=O)N(N=C3C(=O)NC)Cc4ccc(c( c4)Cl)F)C; CCN1C[C@H](C)n2c(c(O)c3C(=O)N (Cc4ccc(F)c(Cl)c4)N=C(C(=O)NC)c23)C1=O; CCN1C[CH](C)n2c(c(O)c3C(=O)N(Cc4ccc(F)c( Cl)c4)N=C(C(=O)NC)c23)C1=O; Fc1ccc(cc1Cl )CN4N=C(c3n2c(C(=O)N(CC2C)CC)c(O)c3C4=O) C(=O)NC |
(6S)-2-(3-chloro-4-fluorobenzyl)-8-ethyl-10-hydroxy-N,6-dimethyl-1,9-dioxo-1,2,6,7,8,9-hexahydropyrazino[1',2':1,5]pyrrolo[2,3-d]pyridazine-4-carboxamide |
| 49793 | ZZY CHEMBL561660 DB08791 ZINC000043075275 |
1 | C14 H10 N4 O5 S | InChI=1S/C14H10N4O5S/c15- 14(19)9-7-12-10(16-8-9)5- 6-17(12)24(22,23)13-4-2-1 -3-11(13)18(20)21/h1-8H,( H2,15,19); USLOIFPDNUDIEG-UHFFFAOYSA-N |
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)n2ccc3c 2cc(cn3)C(=O)N; NC(=O)c1cnc2ccn(c2c1)[S] (=O)(=O)c3ccccc3[N+]([O-])=O; [O-][N+](= O)c1ccccc1S(=O)(=O)n3c2cc(cnc2cc3)C(=O)N |
1-[(2-NITROPHENYL)SULFONYL]-1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXAMIDE |
| 49794 | ZZZ ZINC000036470936 |
1 | C7 H9 N5 O2 | InChI=1S/C7H9N5O2/c8-7-11 -5-4(6(14)12-7)10-3(2-13) 1-9-5/h2-3,10H,1H2,(H4,8, 9,11,12,14)/t3-/m1/s1; LBARDZPDAYELSB-GSVOUGTGSA-N |
C1C(NC2=C(N1)N=C(NC2=O)N)C=O; NC1=NC2=C( N[CH](CN2)C=O)C(=O)N1; NC1=NC2=C(N[C@H]( CN2)C=O)C(=O)N1; C1[C@@H](NC2=C(N1)N=C(N C2=O)N)C=O; O=CC1NC=2C(=O)NC(=NC=2NC1)N |
6-FORMYLTETRAHYDROPTERIN; (6S)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDINE-6-CARBALDEHYDE |