Search Ligand
Browse Ligand
| # | ID | Count | Chemical formula |
InChI; InChIKey |
SMILES | Ligand Name |
|---|---|---|---|---|---|---|
| 49001 |  Z5L ZINC000083291225 |
14 | C7 H14 O5 S | InChI=1S/C7H14O5S/c1-11-7 -6(13)5(10)4(9)3(2-8)12-7 /h3-10,13H,2H2,1H3/t3-,4- ,5+,6+,7+/m1/s1; VHSKYAXEXJLKPC-VEIUFWFVSA-N |
CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO) O)O)S; CO[C@H]1O[C@H](CO)[C@@H](O)[C@H]( O)[C@@H]1S; CO[CH]1O[CH](CO)[CH](O)[CH]( O)[CH]1S; SC1C(O)C(O)C(OC1OC)CO; COC1C(C (C(C(O1)CO)O)O)S |
methyl 2-thio-alpha-D-mannopyranoside |
| 49002 |  Z5P CHEMBL4525447 ZINC000002506148 |
4 | C10 H11 N3 | InChI=1S/C10H11N3/c11-8-9 -4-1-2-5-10(9)13-7-3-6-12 -13/h1-7H,8,11H2; SJMJUZRSTJBVPG-UHFFFAOYSA-N |
n1cccn1c2c(cccc2)CN; c1ccc(c(c1)CN)n2ccc n2; NCc1ccccc1n2cccn2 |
1-[2-(1H-pyrazol-1-yl)phenyl]methanamine |
| 49003 |  Z5X |
1 | C20 H16 F7 N3 O3 | InChI=1S/C20H16F7N3O3/c1- 28-7-8-30(17(28)31)15-10- 11(19(22,23)24)9-14(20(25 ,26)27)16(15)33-18(32)29( 2)13-5-3-12(21)4-6-13/h3- 6,9-10H,7-8H2,1-2H3; OMLNQKKHSWHSNR-UHFFFAOYSA-N |
CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc 3)F)C(F)(F)F)C(F)(F)F; CN1CCN(C1=O)c2cc( cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F) (F)F; CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F )cc2)C(F)(F)F)C(F)(F)F)C1=O |
2-(3-methyl-2-oxoimidazolidin-1-yl)-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)methylcarbamate |
| 49004 |  Z5Y |
2 | C24 H19 Cl2 F O3 | InChI=1S/C24H19Cl2FO3/c1- 13(22-19(25)9-10-20(26)24 (22)27)30-17-8-6-14-2-3-1 6(7-11-21(28)29)23(15-4-5 -15)18(14)12-17/h2-3,6-13 ,15H,4-5H2,1H3,(H,28,29)/ b11-7+/t13-/m0/s1; JHFVJNXUDGWYLT-HJTPGIPUSA-N |
Fc1c(Cl)ccc(Cl)c1C(C)Oc1cc2c(cc1)ccc(/C= C/C(=O)O)c2C1CC1; C[C@@H](c1c(ccc(c1F)Cl )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)/C=C/C(=O)O; C[C@H](Oc1ccc2ccc(\C=C\C(O)=O)c(C3CC3)c 2c1)c4c(Cl)ccc(Cl)c4F; CC(c1c(ccc(c1F)Cl )Cl)Oc2ccc3ccc(c(c3c2)C4CC4)C=CC(=O)O; C [CH](Oc1ccc2ccc(C=CC(O)=O)c(C3CC3)c2c1)c 4c(Cl)ccc(Cl)c4F |
(2E)-3-{1-cyclopropyl-7-[(1S)-1-(3,6-dichloro-2-fluorophenyl)ethoxy]naphthalen-2-yl}prop-2-enoic acid |
| 49005 |  Z5Z ZINC000084286857 |
1 | C9 H15 N3 O S | InChI=1S/C9H15N3OS/c1-6-4 -12(5-7(2)13-6)9-10-8(3)1 1-14-9/h6-7H,4-5H2,1-3H3/ t6-,7+; UXNQAHCNOXNZAL-KNVOCYPGSA-N |
C[CH]1CN(C[CH](C)O1)c2snc(C)n2; Cc1nc(sn 1)N2CC(OC(C2)C)C; Cc1nc(sn1)N2C[C@H](O[C @H](C2)C)C; C[C@H]1CN(C[C@@H](C)O1)c2snc (C)n2; Cc1nc(sn1)N1CC(C)OC(C)C1 |
(2R,6S)-2,6-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine |
| 49006 |  Z60 CHEMBL2377859 ZINC000001839490 |
1 | C11 H10 Cl N3 O S2 | InChI=1S/C11H10ClN3OS2/c1 -2-5-14-11-15-10(13)9(18- 11)8(16)6-3-4-7(12)17-6/h 2-4H,1,5,13H2,(H,14,15); KOFQZAVTXLVRJI-UHFFFAOYSA-N |
Nc1nc(NCC=C)sc1C(=O)c2sc(Cl)cc2; C=CCNc1 nc(c(s1)C(=O)c2ccc(s2)Cl)N; Clc1sc(cc1)C (=O)c2sc(nc2N)NC\C=C |
[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](5-chlorothiophen-2-yl)methanone |
| 49007 |  Z61 CHEMBL4303562 ZINC000003860328 |
4 | C6 H12 O5 | InChI=1S/C6H12O5/c7-2-4-6 (10)3(8)1-5(9)11-4/h3-10H ,1-2H2/t3-,4-,5+,6+/m1/s1; PMMURAAUARKVCB-ZXXMMSQZSA-N |
C1C(C(C(OC1O)CO)O)O; C1[C@H]([C@@H]([C@H ](O[C@@H]1O)CO)O)O; OC1C(OC(O)CC1O)CO; O C[CH]1O[CH](O)C[CH](O)[CH]1O; OC[C@H]1O[ C@H](O)C[C@@H](O)[C@@H]1O |
2-deoxy-alpha-D-arabino-hexopyranose; 2-deoxy-alpha-D-glucopyranose; 2-deoxy-alpha-D-mannopyranose |
| 49008 |  Z62 CHEMBL2377863 ZINC000002379970 |
1 | C13 H12 N4 O3 S | InChI=1S/C13H12N4O3S/c1-2 -6-15-13-16-12(14)11(21-1 3)10(18)8-4-3-5-9(7-8)17( 19)20/h2-5,7H,1,6,14H2,(H ,15,16); LDOOUPSIRAPDLT-UHFFFAOYSA-N |
[O-][N+](=O)c1cccc(c1)C(=O)c2sc(nc2N)NC\ C=C; C=CCNc1nc(c(s1)C(=O)c2cccc(c2)[N+]( =O)[O-])N; Nc1nc(NCC=C)sc1C(=O)c2cccc(c2 )[N+]([O-])=O |
[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone |
| 49009 |  Z63 CHEMBL2377853 ZINC000095920620 |
1 | C12 H12 N4 O S | InChI=1S/C12H12N4OS/c1-2- 5-15-12-16-11(13)10(18-12 )9(17)8-3-6-14-7-4-8/h2-4 ,6-7H,1,5,13H2,(H,15,16); JYLDWTJXERPEGH-UHFFFAOYSA-N |
Nc1nc(NCC=C)sc1C(=O)c2ccncc2; C=CCNc1nc( c(s1)C(=O)c2ccncc2)N; O=C(c1sc(nc1N)NC\C =C)c2ccncc2 |
[4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](pyridin-4-yl)methanone |
| 49010 |  Z64 CHEMBL1236930 ZINC000058650871 |
1 | C18 H21 N7 O | InChI=1S/C18H21N7O/c1-12- 13(15(24-23-12)14-7-5-9-2 6-14)6-3-4-8-25(2)18-16-1 7(20-10-19-16)21-11-22-18 /h5,7,9-11H,3-4,6,8H2,1-2 H3,(H,23,24)(H,19,20,21,2 2); PBUASXAIYKZEKU-UHFFFAOYSA-N |
Cc1c(c([nH]n1)c2ccco2)CCCCN(C)c3c4c(nc[n H]4)ncn3; CN(CCCCc1c(C)n[nH]c1c2occc2)c3 ncnc4nc[nH]c34; n1c(c(c(n1)c2occc2)CCCCN (c4ncnc3ncnc34)C)C |
N-[4-(5-furan-2-yl-3-methyl-1H-pyrazol-4-yl)butyl]-N-methyl-7H-purin-6-amine |
| 49011 |  Z67 ZINC000095920669 |
1 | C16 H13 F2 N5 O3 S2 | InChI=1S/C16H13F2N5O3S2/c 17-10-2-1-3-11(18)12(10)2 2-15(24)13-14(19)23-16(27 -13)21-8-4-6-9(7-5-8)28(2 0,25)26/h1-7H,19H2,(H,21, 23)(H,22,24)(H2,20,25,26); FQEUBNKUJIJESK-UHFFFAOYSA-N |
c1cc(c(c(c1)F)NC(=O)c2c(nc(s2)Nc3ccc(cc3 )S(=O)(=O)N)N)F; Fc1cccc(F)c1NC(=O)c2sc( nc2N)Nc3ccc(cc3)S(=O)(=O)N; Nc1nc(Nc2ccc (cc2)[S](N)(=O)=O)sc1C(=O)Nc3c(F)cccc3F |
4-amino-N-(2,6-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide |
| 49012 |  Z68 ZINC000095920697 |
1 | C16 H18 N4 O3 S | InChI=1S/C16H18N4O3S/c17- 15-14(13(21)10-5-4-8-12(9 -10)20(22)23)24-16(19-15) 18-11-6-2-1-3-7-11/h4-5,8 -9,11H,1-3,6-7,17H2,(H,18 ,19); FLLZFUOEZYWLNJ-UHFFFAOYSA-N |
Nc1nc(NC2CCCCC2)sc1C(=O)c3cccc(c3)[N+]([ O-])=O; c1cc(cc(c1)[N+](=O)[O-])C(=O)c2c (nc(s2)NC3CCCCC3)N; [O-][N+](=O)c1cccc(c 1)C(=O)c2sc(nc2N)NC3CCCCC3 |
[4-amino-2-(cyclohexylamino)-1,3-thiazol-5-yl](3-nitrophenyl)methanone |
| 49013 |  Z69 |
1 | C72 H141 O24 P | InChI=1S/C72H141O24P/c1-5 -8-11-14-17-19-21-23-25-2 7-29-35-41-46-57(75)89-51 -55-60(78)62(80)67(85)72( 93-55)95-69-65(83)63(81)6 4(82)68(94-71-66(84)61(79 )59(77)54(48-73)92-71)70( 69)96-97(86,87)90-50-53(9 1-58(76)47-42-37-30-28-26 -24-22-20-18-15-12-9-6-2) 49-88-56(74)45-40-36-32-3 1-34-39-44-52(4)43-38-33- 16-13-10-7-3/h52-85H,5-51 H2,1-4H3,(H,86,87)/t52-,5 3+,54-,55-,56-,57+,58-,59 -,60+,61-,62-,63-,64+,65+ ,66-,67-,68+,69-,70-,71-, 72+/m0/s1; BAUIYLWUNSEMCF-OVJHHBNUSA-N |
CCCCCCCCCCCCCCC[C@H](O)OC[C@@H]1O[C@H](O [C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O [C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H] 3O)[C@@H]2O[P](O)(=O)OC[C@@H](CO[C@H](O) CCCCCCCC[C@@H](C)CCCCCCCC)O[C@H](O)CCCCC CCCCCCCCCC)[C@@H](O)[C@@H](O)[C@@H]1O; C CCCCCCCCCCCCCC[CH](O)OC[CH]1O[CH](O[CH]2 [CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO )[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC [CH](CO[CH](O)CCCCCCCC[CH](C)CCCCCCCC)O[ CH](O)CCCCCCCCCCCCCCC)[CH](O)[CH](O)[CH] 1O; CCCCCCCCCCCCCCCC(O)OCC1C(C(C(C(O1)OC 2C(C(C(C(C2OP(=O)(O)OCC(COC(CCCCCCCCC(C) CCCCCCCC)O)OC(CCCCCCCCCCCCCCC)O)OC3C(C(C (C(O3)CO)O)O)O)O)O)O)O)O)O; O=P(OCC(OC(O )CCCCCCCCCCCCCCC)COC(O)CCCCCCCCC(C)CCCCC CCC)(O)OC3C(OC1OC(C(O)C(O)C1O)COC(O)CCCC CCCCCCCCCCC)C(O)C(O)C(O)C3OC2OC(CO)C(O)C (O)C2O; CCCCCCCCCCCCCCC[C@H](O)OC[C@H]1[ C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H ]([C@H]([C@H]([C@H]([C@@H]2O[P@](=O)(O)O C[C@@H](CO[C@@H](CCCCCCCC[C@@H](C)CCCCCC CC)O)O[C@@H](CCCCCCCCCCCCCCC)O)O[C@H]3[C @H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)O )O)O)O |
|
| 49014 |  Z6F |
1 | C19 H26 Cl F N4 O3 | InChI=1S/C19H26ClFN4O3/c1 -23-4-6-24(7-5-23)19(28)2 5-10-13(12-26)8-14(11-25) 18(27)22-15-2-3-16(20)17( 21)9-15/h2-3,9,13-14,26H, 4-8,10-12H2,1H3,(H,22,27) /t13-,14+/m1/s1; YJQIDERPUXKPOK-KGLIPLIRSA-N |
CN1CCN(CC1)C(=O)N2CC(CC(C2)C(=O)Nc3ccc(c (c3)F)Cl)CO; CN1CCN(CC1)C(=O)N2C[CH](CO) C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c3; CN1CCN(C C1)C(=O)N2C[C@H](CO)C[C@@H](C2)C(=O)Nc3c cc(Cl)c(F)c3; O=C(N1CCN(C)CC1)N1CC(CC(CO )C1)C(=O)Nc1ccc(Cl)c(F)c1; CN1CCN(CC1)C( =O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc(c(c3 )F)Cl)CO |
(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxamide |
| 49015 |  Z6G |
0 | C6 H14 N O3 | InChI=1S/C6H13NO3/c1-3-6( 9)4(7)2-5(8)10-3/h3-6,8-9 H,2,7H2,1H3/p+1/t3-,4-,5+ ,6-/m0/s1; BBMKQGIZNKEDOX-AZGQCCRYSA-O |
CC1C(C(CC(O1)O)[NH3+])O; C[C@H]1[C@@H]([ C@H](C[C@@H](O1)O)[NH3+])O; C[CH]1O[CH]( O)C[CH]([NH3+])[CH]1O; C[C@@H]1O[C@@H](O )C[C@H]([NH3+])[C@H]1O; OC1C(OC(O)CC1[NH 3+])C |
3-ammonio-2,3,6-trideoxy-alpha-L-arabino-hexopyranose |
| 49016 |  Z6H ZINC000000896167 |
2 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3-,4-,5+,6+/m 0/s1; WQZGKKKJIJFFOK-FQJSGBEDSA-N |
OC[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H ]1O; C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[ C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O; OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1 C(O)C(OC(O)C1O)CO |
alpha-L-altropyranose; alpha-L-altrose; L-altrose; altrose |
| 49017 |  Z6I ZINC000082403329 |
1 | C9 H15 N3 | InChI=1S/C9H15N3/c1-7-9(6 -11-12-7)8-2-4-10-5-3-8/h 6,8,10H,2-5H2,1H3,(H,11,1 2); RUDBDQGQYSXYGD-UHFFFAOYSA-N |
Cc1[nH]ncc1C2CCNCC2; Cc1c(cn[nH]1)C2CCNC C2; Cc1[NH]ncc1C1CCNCC1 |
4-(5-methyl-1H-pyrazol-4-yl)piperidine |
| 49018 |  Z6J ZINC000000895052 |
5 | C5 H10 O5 | InChI=1S/C5H10O5/c6-1-2-3 (7)4(8)5(9)10-2/h2-9H,1H2 /t2-,3-,4-,5+/m0/s1; HMFHBZSHGGEWLO-NEEWWZBLSA-N |
C([C@H]1[C@@H]([C@@H]([C@@H](O1)O)O)O)O; OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1O; C( C1C(C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH]( O)[CH]1O; OC1C(OC(O)C1O)CO |
alpha-L-ribofuranose; alpha-L-ribose; L-ribose; ribose |
| 49019 |  Z6P CHEMBL4869882 |
1 | C24 H22 F2 N4 O3 | InChI=1S/C24H22F2N4O3/c1- 12-6-18(30-24(33)21(31)13 -7-15(25)10-16(26)8-13)4- 5-19(12)14-9-20(22(27)28- 11-14)23(32)29-17-2-3-17/ h4-11,17,21,31H,2-3H2,1H3 ,(H2,27,28)(H,29,32)(H,30 ,33)/t21-/m1/s1; ZAEWPVUVQVUGEE-OAQYLSRUSA-N |
Cc1cc(NC(=O)[CH](O)c2cc(F)cc(F)c2)ccc1c3 cnc(N)c(c3)C(=O)NC4CC4; O=C(NC1CC1)c1cc( cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1 C; Cc1cc(ccc1c2cc(c(nc2)N)C(=O)NC3CC3)NC (=O)[C@@H](c4cc(cc(c4)F)F)O; Cc1cc(NC(=O )[C@H](O)c2cc(F)cc(F)c2)ccc1c3cnc(N)c(c3 )C(=O)NC4CC4; Cc1cc(ccc1c2cc(c(nc2)N)C(= O)NC3CC3)NC(=O)C(c4cc(cc(c4)F)F)O |
2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide |
| 49020 |  Z6V CHEMBL5095202 DB17520 |
1 | C23 H25 N7 O2 | InChI=1S/C23H25N7O2/c1-14 (2)27-23-25-12-18(22(31)3 0(23)5)19-6-7-21(15(3)28- 19)32-17-8-9-24-20(10-17) 16-11-26-29(4)13-16/h6-14 H,1-5H3,(H,25,27); TVGAHWWPABTBCX-UHFFFAOYSA-N |
Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC( C)C)N(C)C2=O)c1; Cc1c(ccc(n1)C2=CN=C(N(C 2=O)C)NC(C)C)Oc3ccnc(c3)c4cnn(c4)C; CC(C )NC1=NC=C(C(=O)N1C)c2ccc(Oc3ccnc(c3)c4cn n(C)c4)c(C)n2 |
Vimseltinib; 3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one |
| 49021 |  Z6W |
1 | C14 H28 O6 | InChI=1S/C14H28O6/c1-2-3- 4-5-6-7-10(16)8-11-12(17) 13(18)14(19,9-15)20-11/h1 0-13,15-19H,2-9H2,1H3/t10 -,11-,12-,13+,14-/m1/s1; ACFOUPJNYNVPQE-XGFWRYKXSA-N |
CCCCCCCC(C[C@@H]1[C@H]([C@@H]([C@](O1)(C O)O)O)O)O; OC1C(O)C(OC1(O)CO)CC(O)CCCCCC C; CCCCCCC[C@@H](O)C[C@H]1O[C@](O)(CO)[C @@H](O)[C@@H]1O; CCCCCCCC(CC1C(C(C(O1)(C O)O)O)O)O; CCCCCCC[CH](O)C[CH]1O[C](O)(C O)[CH](O)[CH]1O |
(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose |
| 49022 |  Z6X ZINC000032838976 |
2 | C14 H26 O3 | InChI=1S/C14H26O3/c1-2-3- 4-5-6-7-8-9-10-11-13(15)1 2-14(16)17/h2-12H2,1H3,(H ,16,17); XLKOZYOVXNPWGT-UHFFFAOYSA-N |
O=C(CCCCCCCCCCC)CC(=O)O; CCCCCCCCCCCC(=O )CC(O)=O; CCCCCCCCCCCC(=O)CC(=O)O |
3-oxotetradecanoic acid |
| 49023 |  Z70 CHEMBL1099168 ZINC000049089469 |
2 | C7 H12 N4 O2 | InChI=1S/C7H12N4O2/c8-5(6 (12)13)2-1-4-3-10-7(9)11- 4/h3,5H,1-2,8H2,(H,12,13) (H3,9,10,11)/t5-/m0/s1; FXIIKDXCDODGRI-YFKPBYRVSA-N |
N[C@@H](CCc1[nH]c(N)nc1)C(O)=O; O=C(O)C( N)CCc1cnc(N)n1; c1c([nH]c(n1)N)CC[C@@H]( C(=O)O)N; N[CH](CCc1[nH]c(N)nc1)C(O)=O; c1c([nH]c(n1)N)CCC(C(=O)O)N |
(2S)-2-amino-4-(2-amino-1H-imidazol-5-yl)butanoic acid; 2-aminohomohistidine |
| 49024 |  Z71 ZINC000095920773 |
1 | C16 H13 F2 N5 O3 S2 | InChI=1S/C16H13F2N5O3S2/c 17-8-5-9(18)7-11(6-8)21-1 5(24)13-14(19)23-16(27-13 )22-10-1-3-12(4-2-10)28(2 0,25)26/h1-7H,19H2,(H,21, 24)(H,22,23)(H2,20,25,26); XTIMXWZYVZMPGC-UHFFFAOYSA-N |
Nc1nc(Nc2ccc(cc2)[S](N)(=O)=O)sc1C(=O)Nc 3cc(F)cc(F)c3; c1cc(ccc1Nc2nc(c(s2)C(=O) Nc3cc(cc(c3)F)F)N)S(=O)(=O)N; Fc1cc(cc(F )c1)NC(=O)c2sc(nc2N)Nc3ccc(cc3)S(=O)(=O) N |
4-amino-N-(3,5-difluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide |
| 49025 |  Z72 CHEMBL1096812 ZINC000100103896 |
8 | C20 H18 Cl2 N2 O4 | InChI=1S/C20H18Cl2N2O4/c1 -26-16-7-6-12-15(24-18-13 (21)9-23-10-14(18)22)8-17 (25)28-19(12)20(16)27-11- 4-2-3-5-11/h6-11H,2-5H2,1 H3,(H,23,24); YUTTWVBLGONANE-UHFFFAOYSA-N |
COc1ccc2C(=CC(=O)Oc2c1OC3CCCC3)Nc4c(Cl)c ncc4Cl; COc1ccc2c(c1OC3CCCC3)OC(=O)C=C2N c4c(cncc4Cl)Cl; Clc1cncc(Cl)c1NC=2c4c(OC (=O)C=2)c(OC3CCCC3)c(OC)cc4 |
8-(cyclopentyloxy)-4-[(3,5-dichloropyridin-4-yl)amino]-7-methoxy-2H-chromen-2-one |
| 49026 |  Z73 CHEMBL1086110 ZINC000043206679 |
5 | C15 H18 N4 O | InChI=1S/C15H18N4O/c1-5-6 -12-17-10(3)14-9(2)16-11- 7-8-13(20-4)18-15(11)19(1 2)14/h7-8H,5-6H2,1-4H3; YNADXFWEXJTQSZ-UHFFFAOYSA-N |
n2c1c(nc(OC)cc1)n3c(c2C)c(nc3CCC)C; CCCc 1nc(C)c2n1c3nc(OC)ccc3nc2C; CCCc1nc(c2n1 c3c(ccc(n3)OC)nc2C)C |
2-methoxy-6,7-dimethyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine |
| 49027 |  Z74 CHEMBL1097319 ZINC000049784328 |
2 | C34 H42 F2 N4 O5 S | InChI=1S/C34H42F2N4O5S/c1 -4-12-39(13-5-2)34(43)26- 16-23(3)15-25(20-26)33(42 )38-30(19-24-17-27(35)21- 28(36)18-24)32(41)31-22-4 0(14-11-37-31)46(44,45)29 -9-7-6-8-10-29/h6-10,15-1 8,20-21,30-32,37,41H,4-5, 11-14,19,22H2,1-3H3,(H,38 ,42)/t30-,31+,32-/m0/s1; KDRUCCZCGHVXGH-QAXCHELISA-N |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c c(c2)F)F)C(C3CN(CCN3)S(=O)(=O)c4ccccc4)O )C; CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H ](Cc2cc(cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN 3)S(=O)(=O)c4ccccc4)O)C; O=S(=O)(c1ccccc 1)N2CC(NCC2)C(O)C(NC(=O)c3cc(cc(C(=O)N(C CC)CCC)c3)C)Cc4cc(F)cc(F)c4; CCCN(CCC)C( =O)c1cc(C)cc(c1)C(=O)N[CH](Cc2cc(F)cc(F) c2)[CH](O)[CH]3CN(CCN3)[S](=O)(=O)c4cccc c4; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@ @H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]3CN(CCN 3)[S](=O)(=O)c4ccccc4 |
N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
| 49028 |  Z75 CHEMBL1097356 ZINC000049783893 |
2 | C35 H44 F2 N4 O3 | InChI=1S/C35H44F2N4O3/c1- 4-12-41(13-5-2)35(44)28-1 6-24(3)15-27(20-28)34(43) 39-31(19-26-17-29(36)21-3 0(37)18-26)33(42)32-23-40 (14-11-38-32)22-25-9-7-6- 8-10-25/h6-10,15-18,20-21 ,31-33,38,42H,4-5,11-14,1 9,22-23H2,1-3H3,(H,39,43) /t31-,32+,33-/m0/s1; ZHZSBUKNHGZRTJ-DSPMFFIESA-N |
CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)NC(Cc2cc(c c(c2)F)F)C(C3CN(CCN3)Cc4ccccc4)O)C; CCCN (CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc2cc( cc(c2)F)F)[C@@H]([C@H]3C[N@](CCN3)Cc4ccc cc4)O)C; CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O )N[CH](Cc2cc(F)cc(F)c2)[CH](O)[CH]3CN(CC N3)Cc4ccccc4; CCCN(CCC)C(=O)c1cc(C)cc(c1 )C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C @H]3CN(CCN3)Cc4ccccc4 |
N'-[(1S,2S)-2-[(2R)-4-benzylpiperazin-2-yl]-1-(3,5-difluorobenzyl)-2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide |
| 49029 |  Z76 CHEMBL1097342 ZINC000049802648 |
2 | C35 H42 F2 N4 O6 S | InChI=1S/C35H42F2N4O6S/c1 -22-6-4-8-30(14-22)48(45, 46)40-11-9-38-32(20-40)33 (42)31(17-24-15-27(36)19- 28(37)16-24)39-34(43)25-1 2-23(2)13-26(18-25)35(44) 41-10-5-7-29(41)21-47-3/h 4,6,8,12-16,18-19,29,31-3 3,38,42H,5,7,9-11,17,20-2 1H2,1-3H3,(H,39,43)/t29-, 31+,32-,33+/m1/s1; CQQMWBPWYUPVOC-PPESYSCFSA-N |
Cc1cccc(c1)S(=O)(=O)[N@]2CCN[C@H](C2)[C@ H]([C@H](Cc3cc(cc(c3)F)F)NC(=O)c4cc(cc(c 4)C(=O)N5CCC[C@@H]5COC)C)O; COC[CH]1CCCN 1C(=O)c2cc(C)cc(c2)C(=O)N[CH](Cc3cc(F)cc (F)c3)[CH](O)[CH]4CN(CCN4)[S](=O)(=O)c5c ccc(C)c5; COC[C@H]1CCCN1C(=O)c2cc(C)cc(c 2)C(=O)N[C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[ C@H]4CN(CCN4)[S](=O)(=O)c5cccc(C)c5; Cc1 cccc(c1)S(=O)(=O)N2CCNC(C2)C(C(Cc3cc(cc( c3)F)F)NC(=O)c4cc(cc(c4)C(=O)N5CCCC5COC) C)O |
N-[(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-{(2R)-4-[(3-methylphenyl)sulfonyl]piperazin-2-yl}ethyl]-3-{[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]carbonyl}-5-methylbenzamide |
| 49030 |  Z77 CHEMBL1236932 ZINC000000920091 |
2 | C22 H25 N3 O3 S | InChI=1S/C22H25N3O3S/c1-1 4-9-16-11-17(21(27)24-20( 16)10-15(14)2)13-25(7-8-2 6)22(29)23-18-5-4-6-19(12 -18)28-3/h4-6,9-12,26H,7- 8,13H2,1-3H3,(H,23,29)(H, 24,27); ANZIHXJDZSQUFB-UHFFFAOYSA-N |
Cc1cc2c(cc1C)NC(=O)C(=C2)CN(CCO)C(=S)Nc3 cccc(c3)OC; COc1cccc(NC(=S)N(CCO)CC2=Cc3 cc(C)c(C)cc3NC2=O)c1 |
1-[(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(3-methoxyphenyl)thiourea |
| 49031 |  Z78 CHEMBL1236933 ZINC000001353006 |
2 | C20 H20 F N3 O3 | InChI=1S/C20H20FN3O3/c1-1 3-6-7-17-14(10-13)11-15(1 9(26)22-17)12-24(8-9-25)2 0(27)23-18-5-3-2-4-16(18) 21/h2-7,10-11,25H,8-9,12H 2,1H3,(H,22,26)(H,23,27); IZEKTGGQNDYMPR-UHFFFAOYSA-N |
Cc1ccc2NC(=O)C(=Cc2c1)CN(CCO)C(=O)Nc3ccc cc3F; Cc1ccc2c(c1)C=C(C(=O)N2)CN(CCO)C(= O)Nc3ccccc3F |
3-(2-fluorophenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1,2-dihydroquinolin-3-yl)methyl]urea |
| 49032 |  Z79 CHEMBL83508 ZINC000010450351 |
2 | C9 H12 N2 O5 S | InChI=1S/C9H12N2O5S/c1-16 -7-2-4-8(5-3-7)17(14,15)1 0-6-9(12)11-13/h2-5,10,13 H,6H2,1H3,(H,11,12); WLZISXXOYYGJNT-UHFFFAOYSA-N |
COc1ccc(cc1)[S](=O)(=O)NCC(=O)NO; COc1cc c(cc1)S(=O)(=O)NCC(=O)NO |
N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]glycinamide |
| 49033 |  Z7B |
1 | C32 H67 O4 P | InChI=1S/C32H67O4P/c1-7-8 -9-10-11-17-28(2)18-12-19 -29(3)20-13-21-30(4)22-14 -23-31(5)24-15-25-32(6)26 -16-27-36-37(33,34)35/h28 -32H,7-27H2,1-6H3,(H2,33, 34,35)/t28-,29-,30-,31-,3 2-/m0/s1; WLNOCCJMGSEDAT-XDIGFQIYSA-N |
CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C CCOP(=O)(O)O; O=P(OCCCC(CCCC(C)CCCC(C)CC CC(C)CCCC(C)CCCCCCC)C)(O)O; CCCCCCC[C@H] (C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[ C@H](C)CCCO[P](O)(O)=O; CCCCCCC[CH](C)CC C[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC CO[P](O)(O)=O; CCCCCCC[C@H](C)CCC[C@H](C )CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCOP( =O)(O)O |
(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl dihydrogen phosphate |
| 49034 |  Z7D CHEMBL4644629 |
1 | C24 H23 F O3 S | InChI=1S/C24H23FO3S/c25-2 1-10-14-23(15-11-21)29(26 ,27)24(16-4-5-17-24)20-8- 12-22(13-9-20)28-18-19-6- 2-1-3-7-19/h1-3,6-15H,4-5 ,16-18H2; IXMWLTXJOWOLAW-UHFFFAOYSA-N |
Fc1ccc(cc1)[S](=O)(=O)C2(CCCC2)c3ccc(OCc 4ccccc4)cc3; c1ccc(cc1)COc2ccc(cc2)C3(CC CC3)S(=O)(=O)c4ccc(cc4)F; c2c(OCc1ccccc1 )ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O |
1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene |
| 49035 |  Z7F |
1 | C33 H32 Cl F2 N O6 S | InChI=1S/C33H32ClF2NO6S/c 34-28-2-1-3-29(36)26(28)1 9-43-24-11-14-27-22(18-24 )8-15-30-33(27,44(41,42)2 5-12-9-23(35)10-13-25)16- 17-37(30)31(38)20-4-6-21( 7-5-20)32(39)40/h1-3,9-14 ,18,20-21,30H,4-8,15-17,1 9H2,(H,39,40)/t20-,21-,30 -,33-/m1/s1; MWCCYYVYYDJWMW-KYNBKCAXSA-N |
c1cc(c(c(c1)Cl)COc2ccc3c(c2)CCC4C3(CCN4C (=O)C5CCC(CC5)C(=O)O)S(=O)(=O)c6ccc(cc6) F)F; c1cc(c(c(c1)Cl)COc2ccc3c(c2)CC[C@@H ]4[C@]3(CCN4C(=O)C5CCC(CC5)C(=O)O)S(=O)( =O)c6ccc(cc6)F)F; c2(OCc1c(cccc1F)Cl)cc3 c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O )O)S(c6ccc(cc6)F)(=O)=O; OC(=O)[CH]1CC[C H](CC1)C(=O)N2CC[C]3([CH]2CCc4cc(OCc5c(F )cccc5Cl)ccc34)[S](=O)(=O)c6ccc(F)cc6; O C(=O)[C@H]1CC[C@@H](CC1)C(=O)N2CC[C@@]3( [C@H]2CCc4cc(OCc5c(F)cccc5Cl)ccc34)[S](= O)(=O)c6ccc(F)cc6 |
trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid |
| 49036 |  Z7G CHEMBL4797657 ZINC000038287605 |
1 | C17 H18 Cl2 O3 | InChI=1S/C17H18Cl2O3/c1-1 0(2)13-8-12(4-5-16(13)21- 3)22-17-14(18)6-11(9-20)7 -15(17)19/h4-8,10,20H,9H2 ,1-3H3; YJBUGSRJCVSLKC-UHFFFAOYSA-N |
COc1ccc(Oc2c(Cl)cc(CO)cc2Cl)cc1C(C)C; c1 (c(Cl)cc(cc1Cl)CO)Oc2ccc(c(c2)C(C)C)OC; CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)CO)Cl |
{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}methanol |
| 49037 |  Z7H CHEMBL4784974 |
1 | C23 H22 Cl2 N2 O3 | InChI=1S/C23H22Cl2N2O3/c1 -14(2)18-12-17(6-7-21(18) 29-3)30-23-19(24)10-16(11 -20(23)25)27-22(28)9-15-5 -4-8-26-13-15/h4-8,10-14H ,9H2,1-3H3,(H,27,28); NSQNWKUVCNRXBW-UHFFFAOYSA-N |
CC(C)c1cc(ccc1OC)Oc2c(cc(cc2Cl)NC(=O)Cc3 cccnc3)Cl; COc1ccc(Oc2c(Cl)cc(NC(=O)Cc3c ccnc3)cc2Cl)cc1C(C)C; c1(cnccc1)CC(Nc3cc (c(Oc2ccc(c(c2)C(C)C)OC)c(c3)Cl)Cl)=O |
N-{3,5-dichloro-4-[4-methoxy-3-(propan-2-yl)phenoxy]phenyl}-2-(pyridin-3-yl)acetamide |
| 49038 |  Z7I CHEMBL4796044 |
1 | C23 H29 Cl2 N3 O5 S | InChI=1S/C23H29Cl2N3O5S/c 1-14(2)18-12-17(13-26-23( 18)32-3)33-22-19(24)10-16 (11-20(22)25)27-21(29)9-1 5-5-7-28(8-6-15)34(4,30)3 1/h10-15H,5-9H2,1-4H3,(H, 27,29); CMWKFXBFRJPOBS-UHFFFAOYSA-N |
c1(c(ncc(c1)Oc2c(Cl)cc(cc2Cl)NC(=O)CC3CC N(S(C)(=O)=O)CC3)OC)C(C)C; CC(C)c1cc(cnc 1OC)Oc2c(cc(cc2Cl)NC(=O)CC3CCN(CC3)S(=O) (=O)C)Cl; COc1ncc(Oc2c(Cl)cc(NC(=O)CC3CC N(CC3)[S](C)(=O)=O)cc2Cl)cc1C(C)C |
N-(3,5-dichloro-4-{[6-methoxy-5-(propan-2-yl)pyridin-3-yl]oxy}phenyl)-2-[1-(methylsulfonyl)piperidin-4-yl]acetamide |
| 49039 |  Z7N |
1 | C21 H30 Cl F N4 O3 | InChI=1S/C21H30ClFN4O3/c1 -13-8-26(9-14(2)25(13)3)2 1(30)27-10-15(12-28)6-16( 11-27)20(29)24-17-4-5-18( 22)19(23)7-17/h4-5,7,13-1 6,28H,6,8-12H2,1-3H3,(H,2 4,29)/t13-,14+,15-,16+/m1 /s1; ICLRAUCRFDHWBU-QXSJWSMHSA-N |
CC1CN(CC(N1C)C)C(=O)N2CC(CC(C2)C(=O)Nc3c cc(c(c3)F)Cl)CO; C[C@@H]1CN(C[C@@H](N1C) C)C(=O)N2C[C@@H](C[C@@H](C2)C(=O)Nc3ccc( c(c3)F)Cl)CO; C[CH]1CN(C[CH](C)N1C)C(=O) N2C[CH](CO)C[CH](C2)C(=O)Nc3ccc(Cl)c(F)c 3; C[C@@H]1CN(C[C@H](C)N1C)C(=O)N2C[C@H] (CO)C[C@@H](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC 1CN(CC(C)N1C)C(=O)N1CC(CC(CO)C1)C(=O)Nc1 ccc(Cl)c(F)c1 |
(3S,5R)-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide |
| 49040 |  Z7P |
8 | C23 H33 N4 O20 P3 | InChI=1S/C23H33N4O20P3/c1 -9-16(29)12(11(5-24-9)7-4 2-48(35,36)37)6-25-15-10( 2)44-22(20(33)18(15)31)46 -50(40,41)47-49(38,39)43- 8-13-17(30)19(32)21(45-13 )27-4-3-14(28)26-23(27)34 /h3-6,10,13,15,17-22,29-3 3H,7-8H2,1-2H3,(H,38,39)( H,40,41)(H,26,28,34)(H2,3 5,36,37)/b25-6+/t10-,13-, 15-,17-,18+,19-,20-,21-,2 2-/m1/s1; YCGRRMXEGFNOLB-XUIBUIKDSA-N |
O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O )OC2OC(C)C(/N=C/c3c(COP(=O)(O)O)cnc(C)c3 O)C(O)C2O)C(O)C1O; C[C@H]1O[C@H](O[P](O) (=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C @@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](O) [C@@H]1N=Cc4c(O)c(C)ncc4CO[P](O)(O)=O; C c1c(c(c(cn1)COP(=O)(O)O)C=NC2C(OC(C(C2O) O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC( =O)NC4=O)O)O)C)O; Cc1c(c(c(cn1)COP(=O)(O )O)/C=N/[C@@H]2[C@H](O[C@@H]([C@@H]([C@H ]2O)O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([ C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C)O; C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH] 2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH ](O)[CH](O)[CH]1N=Cc4c(O)c(C)ncc4CO[P](O )(O)=O |
(2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
| 49041 |  Z7S |
1 | C9 H18 N2 O5 | InChI=1S/C9H18N2O5/c1-4(1 4)10-7-5(2-12)11-6(3-13)8 (15)9(7)16/h5-9,11-13,15- 16H,2-3H2,1H3,(H,10,14)/t 5-,6-,7+,8-,9-/m1/s1; GYKHMAHAJKZLAT-SYHAXYEDSA-N |
CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[C@H ]1[C@H](N[C@@H]([C@H]([C@@H]1O)O)CO)CO; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)N[CH]1 CO; OC1C(O)C(NC(C)=O)C(CO)NC1CO; CC(=O)N [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N[C@@H ]1CO |
N-[(2S,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide |
| 49042 |  Z7T |
1 | C11 H15 N3 O | InChI=1S/C11H15N3O/c12-11 (15)8-5-6-13-10(7-8)14-9- 3-1-2-4-9/h5-7,9H,1-4H2,( H2,12,15)(H,13,14); VCDXBFXIABGZKP-UHFFFAOYSA-N |
NC(=O)c1ccnc(NC2CCCC2)c1; c1cnc(cc1C(=O) N)NC2CCCC2 |
2-(cyclopentylamino)pyridine-4-carboxamide |
| 49043 |  Z7Z CHEMBL107057 ZINC000000157472 |
4 | C13 H10 O2 | InChI=1S/C13H10O2/c14-13( 15)12-8-6-11(7-9-12)10-4- 2-1-3-5-10/h1-9H,(H,14,15 ); NNJMFJSKMRYHSR-UHFFFAOYSA-N |
c1ccc(cc1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc( cc1)c2ccccc2; O=C(O)c2ccc(c1ccccc1)cc2 |
biphenyl-4-carboxylic acid |
| 49044 |  Z80 CHEMBL71 DB00477 ZINC000000044027 |
25 | C17 H19 Cl N2 S | InChI=1S/C17H19ClN2S/c1-1 9(2)10-5-11-20-14-6-3-4-7 -16(14)21-17-9-8-13(18)12 -15(17)20/h3-4,6-9,12H,5, 10-11H2,1-2H3; ZPEIMTDSQAKGNT-UHFFFAOYSA-N |
CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13; CN(C)C CCN1c2ccccc2Sc3c1cc(cc3)Cl |
3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine; Chlorpromazine |
| 49045 |  Z81 CHEMBL1092788 ZINC000049070014 |
1 | C21 H16 F2 N4 O | InChI=1S/C21H16F2N4O/c1-2 7-19(28)21(26-20(27)24,14 -7-9-25-10-8-14)15-4-2-3- 13(11-15)17-12-16(22)5-6- 18(17)23/h2-12H,1H3,(H2,2 4,26)/t21-/m1/s1; RKYFABJLGJZOBA-OAQYLSRUSA-N |
CN1C(=N[C@](C1=O)(c2ccncc2)c3cccc(c3)c4c c(F)ccc4F)N; CN1C(=N[C](C1=O)(c2ccncc2)c 3cccc(c3)c4cc(F)ccc4F)N; CN1C(=O)C(N=C1N )(c2ccncc2)c3cccc(c3)c4cc(ccc4F)F; CN1C( =O)[C@@](N=C1N)(c2ccncc2)c3cccc(c3)c4cc( ccc4F)F |
(5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one; 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID |
| 49046 |  Z82 CHEMBL22051 ZINC000000388063 |
10 | C7 H5 Br O2 | InChI=1S/C7H5BrO2/c8-6-3- 1-5(2-4-6)7(9)10/h1-4H,(H ,9,10); TUXYZHVUPGXXQG-UHFFFAOYSA-N |
c1cc(ccc1C(=O)O)Br; OC(=O)c1ccc(Br)cc1 | 4-bromobenzoic acid |
| 49047 |  Z83 CHEMBL1738942 ZINC000066156453 |
1 | C19 H21 N5 O3 S | InChI=1S/C19H21N5O3S/c1-1 9(2,3)14-11-15(21-17(27)2 2-18-20-8-9-28-18)24(23-1 4)13-6-4-12(5-7-13)10-16( 25)26/h4-9,11H,10H2,1-3H3 ,(H,25,26)(H2,20,21,22,27 ); RBPOVRMRESQJOZ-UHFFFAOYSA-N |
CC(C)(C)c1cc(NC(=O)Nc2sccn2)n(n1)c3ccc(C C(O)=O)cc3; CC(C)(C)c1cc(n(n1)c2ccc(cc2) CC(=O)O)NC(=O)Nc3nccs3 |
(4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid; 2-(4-(3-tert-butyl-5-(3-thiazol-2-ylureido)-1H-pyrazol-1-yl)phenyl)acetic acid |
| 49048 |  Z84 CHEMBL1738943 ZINC000066156894 |
1 | C26 H30 N6 O2 S | InChI=1S/C26H30N6O2S/c1-1 8-5-7-21(8-6-18)32-23(15- 22(31-32)26(2,3)4)29-24(3 3)30-25-28-20(17-35-25)11 -14-34-16-19-9-12-27-13-1 0-19/h5-10,12-13,15,17H,1 1,14,16H2,1-4H3,(H2,28,29 ,30,33); DZVQBRGQNWDWIG-UHFFFAOYSA-N |
Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3scc(CCOCc4cc ncc4)n3)C(C)(C)C; Cc1ccc(cc1)n2c(cc(n2)C (C)(C)C)NC(=O)Nc3nc(cs3)CCOCc4ccncc4 |
1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea; 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2-(pyridin-4-ylmethoxy)ethyl)thiazol-2-yl)urea |
| 49049 |  Z85 CHEMBL1738944 ZINC000066156896 |
1 | C27 H31 N5 O2 S | InChI=1S/C27H31N5O2S/c1-1 9-10-12-22(13-11-19)32-24 (16-23(31-32)27(2,3)4)29- 25(33)30-26-28-21(18-35-2 6)14-15-34-17-20-8-6-5-7- 9-20/h5-13,16,18H,14-15,1 7H2,1-4H3,(H2,28,29,30,33 ); MZGQVTBIULKWER-UHFFFAOYSA-N |
Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)Nc3n c(cs3)CCOCc4ccccc4; Cc1ccc(cc1)n2nc(cc2N C(=O)Nc3scc(CCOCc4ccccc4)n3)C(C)(C)C |
1-{4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea; 1-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)-3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)urea |
| 49050 |  Z86 CHEMBL1738945 ZINC000066156898 |
1 | C28 H31 N5 O4 S | InChI=1S/C28H31N5O4S/c1-2 8(2,3)23-16-24(33(32-23)2 2-11-9-19(10-12-22)15-25( 34)35)30-26(36)31-27-29-2 1(18-38-27)13-14-37-17-20 -7-5-4-6-8-20/h4-12,16,18 H,13-15,17H2,1-3H3,(H,34, 35)(H2,29,30,31,36); QUOWKTGPIJLRIN-UHFFFAOYSA-N |
CC(C)(C)c1cc(NC(=O)Nc2scc(CCOCc3ccccc3)n 2)n(n1)c4ccc(CC(O)=O)cc4; CC(C)(C)c1cc(n (n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CC OCc4ccccc4 |
(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid; 2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-tert-butyl-1H-pyrazol-1-yl)phenyl)acetic acid |
| 49051 |  Z87 CHEMBL1738946 ZINC000066156998 |
1 | C18 H21 N5 O S | InChI=1S/C18H21N5OS/c1-12 -5-7-13(8-6-12)23-15(11-1 4(22-23)18(2,3)4)20-16(24 )21-17-19-9-10-25-17/h5-1 1H,1-4H3,(H2,19,20,21,24); YHFISDMDEBLKPE-UHFFFAOYSA-N |
Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3sccn3)C(C)(C )C; Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O) Nc3nccs3 |
1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea; 1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(thiazol-2-yl)urea |
| 49052 |  Z88 ZINC000000242755 |
2 | C8 H8 Br N O3 S | InChI=1S/C8H8BrNO3S/c1-6( 11)10-14(12,13)8-4-2-7(9) 3-5-8/h2-5H,1H3,(H,10,11); GUSSBUVTIMQOBB-UHFFFAOYSA-N |
CC(=O)NS(=O)(=O)c1ccc(cc1)Br; CC(=O)N[S] (=O)(=O)c1ccc(Br)cc1 |
N-[(4-bromophenyl)sulfonyl]acetamide |
| 49053 |  Z89 ZINC000003077615 |
5 | C15 H9 Br N2 O6 S2 | InChI=1S/C15H9BrN2O6S2/c1 6-5-1-2-7-6(3-5)10(12(21) 17-7)11-13(22)18(15(25)26 -11)8(14(23)24)4-9(19)20/ h1-3,8H,4H2,(H,17,21)(H,1 9,20)(H,23,24)/b11-10-/t8 -/m1/s1; QGNRETMYLHRUBB-OZEWEUHLSA-N |
c1cc2c(cc1Br)C(=C3C(=O)N(C(=S)S3)C(CC(=O )O)C(=O)O)C(=O)N2; c1cc2c(cc1Br)/C(=C/3\ C(=O)N(C(=S)S3)[C@H](CC(=O)O)C(=O)O)/C(= O)N2; OC(=O)C[C@@H](N1C(=S)SC(/C1=O)=C/2 C(=O)Nc3ccc(Br)cc/23)C(O)=O; OC(=O)C[CH] (N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C (O)=O |
(2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid; N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE |
| 49054 |  Z8A ZINC000087495993 |
7 | C44 H89 N O4 | InChI=1S/C44H89NO4/c1-3-5 -7-9-11-13-15-17-18-19-20 -21-22-23-24-25-26-27-29- 31-33-35-37-39-43(48)45-4 1(40-46)44(49)42(47)38-36 -34-32-30-28-16-14-12-10- 8-6-4-2/h41-42,44,46-47,4 9H,3-40H2,1-2H3,(H,45,48) /t41-,42+,44-/m0/s1; GKRXVCWVXYHWOD-KZRDWULCSA-N |
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C( CCCCCCCCCCCCCC)O)O; CCCCCCCCCCCCCCCCCCCC CCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCC CCCCCCC; CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N [C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC ; O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCC CCCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC CCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCC CCCCCCCCCCC)O)O |
N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide |
| 49055 |  Z8B ZINC000081957324 |
3 | C10 H11 Br N8 O3 | InChI=1S/C10H11BrN8O3/c11 -10-17-4-7(12)14-2-15-8(4 )19(10)9-6(21)5(20)3(22-9 )1-16-18-13/h2-3,5-6,9,20 -21H,1H2,(H2,12,14,15)/t3 -,5-,6-,9-/m1/s1; USVISQHKGJAQDS-UUOKFMHZSA-N |
Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N -])N; Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-]) [CH](O)[CH]3O)c(Br)nc12; c1nc(c2c(n1)n(c (n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[ N+]=[N-])O)O)N; Nc1ncnc2n([C@@H]3O[C@H]( CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12; c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+ ]=[N-])O)O)N |
5'-azido-8-bromo-5'-deoxyadenosine |
| 49056 |  Z8G CHEMBL4761772 |
1 | C26 H25 F8 N O4 S | InChI=1S/C26H25F8NO4S/c1- 22(2,37)21(36)35-20-11-12 -23(40(38,39)17-7-5-16(27 )6-8-17)18-10-4-15(13-14( 18)3-9-19(20)23)24(28,25( 29,30)31)26(32,33)34/h4-8 ,10,13,19-20,37H,3,9,11-1 2H2,1-2H3,(H,35,36)/t19-, 20+,23+/m0/s1; JZUVTKBHDNIOHD-MIZPHKNDSA-N |
CC(C)(O)C(=O)N[CH]1CC[C]2([CH]1CCc3cc(cc c23)C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4 ccc(F)cc4; CC(C)(O)C(=O)N[C@@H]1CC[C@@]2 ([C@H]1CCc3cc(ccc23)C(F)(C(F)(F)F)C(F)(F )F)[S](=O)(=O)c4ccc(F)cc4; CC(C)(C(=O)N[ C@@H]1CC[C@@]2([C@H]1CCc3c2ccc(c3)C(C(F) (F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O; CC(C)(C(=O)NC1CCC2(C1CCc3c2ccc(c3)C(C(F )(F)F)(C(F)(F)F)F)S(=O)(=O)c4ccc(cc4)F)O ; c1(C(C(F)(F)F)(F)C(F)(F)F)cc2c(cc1)C3( C(CC2)C(CC3)NC(=O)C(O)(C)C)S(=O)(c4ccc(c c4)F)=O |
N-[(3R,3aS,9bS)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide |
| 49057 |  Z8H ZINC000000896168 |
0 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4-,5-,6-/m 0/s1; WQZGKKKJIJFFOK-GNFDWLABSA-N |
C([C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O )O)O)O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@ H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O; OC1 C(O)C(OC(O)C1O)CO |
beta-L-gulopyranose; beta-L-gulose; L-gulose; gulose |
| 49058 |  Z8I CHEMBL4782326 |
1 | C30 H29 F9 N2 O5 S | InChI=1S/C30H29F9N2O5S/c1 -26(2,44)15-41-22(14-21(3 2)24(41)42)25(43)40-12-11 -27(47(45,46)19-7-5-18(31 )6-8-19)20-9-4-17(13-16(2 0)3-10-23(27)40)28(33,29( 34,35)36)30(37,38)39/h4-9 ,13,21-23,44H,3,10-12,14- 15H2,1-2H3/t21-,22+,23-,2 7-/m1/s1; NETWYXYMXZLUOG-QSGNWFJVSA-N |
CC(C)(CN1C(CC(C1=O)F)C(=O)N2CCC3(C2CCc4c 3ccc(c4)C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O) c5ccc(cc5)F)O; CC(C)(CN1[C@@H](C[C@H](C1 =O)F)C(=O)N2CC[C@@]3([C@H]2CCc4c3ccc(c4) C(C(F)(F)F)(C(F)(F)F)F)S(=O)(=O)c5ccc(cc 5)F)O; CC(C)(O)CN1[C@@H](C[C@@H](F)C1=O) C(=O)N2CC[C@@]3([C@H]2CCc4cc(ccc34)C(F)( C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc(F)cc5 ; C2CN(C(=O)C1N(C(C(C1)F)=O)CC(O)(C)C)C3 CCc5cc(C(C(F)(F)F)(F)C(F)(F)F)ccc5C23S(c 4ccc(cc4)F)(=O)=O; CC(C)(O)CN1[CH](C[CH] (F)C1=O)C(=O)N2CC[C]3([CH]2CCc4cc(ccc34) C(F)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c5ccc( F)cc5 |
(3R,5S)-3-fluoro-5-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one |
| 49059 |  Z8O CHEMBL5268152 |
4 | C24 H19 N3 O2 | InChI=1S/C24H19N3O2/c28-2 2(27-14-13-17-5-1-4-8-21( 17)27)15-16-9-11-18(12-10 -16)23-19-6-2-3-7-20(19)2 4(29)26-25-23/h1-12H,13-1 5H2,(H,26,29); COYVFENBIAJDFY-UHFFFAOYSA-N |
O=C(Cc1ccc(cc1)C2=NNC(=O)c3ccccc23)N4CCc 5ccccc45; O=C(Cc1ccc(cc1)C1=NNC(=O)c2ccc cc21)N1CCc2ccccc21; c1ccc2c(c1)CCN2C(=O) Cc3ccc(cc3)C4=NNC(=O)c5c4cccc5 |
4-{4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]phenyl}phthalazin-1(2H)-one |
| 49060 |  Z8R CHEMBL4167242 |
4 | C15 H15 N O4 S | InChI=1S/C15H15NO4S/c1-21 (19,20)16-10-11-5-7-12(8- 6-11)13-3-2-4-14(9-13)15( 17)18/h2-9,16H,10H2,1H3,( H,17,18); GDROHHKTEPPNSN-UHFFFAOYSA-N |
C[S](=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(O)=O ; CS(=O)(=O)NCc1ccc(cc1)c2cccc(c2)C(=O)O |
3-[4-(methylsulfonylaminomethyl)phenyl]benzoic acid |
| 49061 |  Z8T ZINC000001532520 |
3 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3-,4+,5-,6-/m 0/s1; WQZGKKKJIJFFOK-QYESYBIKSA-N |
C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@@H]1O[C@H ](O)[C@@H](O)[C@H](O)[C@H]1O; OC[CH]1O[C H](O)[CH](O)[CH](O)[CH]1O; C([C@H]1[C@@H ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C( O)C(OC(O)C1O)CO |
beta-L-glucopyranose; beta-L-glucose; L-glucose; glucose |
| 49062 |  Z8V |
1 | C9 H18 N2 O5 | InChI=1S/C9H18N2O5/c1-4(1 4)10-7-5(2-12)11-6(3-13)8 (15)9(7)16/h5-9,11-13,15- 16H,2-3H2,1H3,(H,10,14)/t 5-,6+,7-,8+,9+/m0/s1; GYKHMAHAJKZLAT-KVEIKIFDSA-N |
CC(=O)NC1C(NC(C(C1O)O)CO)CO; CC(=O)N[CH] 1[CH](O)[CH](O)[CH](CO)N[CH]1CO; OC1C(O) C(NC(C)=O)C(CO)NC1CO; CC(=O)N[C@@H]1[C@@ H](O)[C@H](O)[C@@H](CO)N[C@H]1CO; CC(=O) N[C@H]1[C@@H](N[C@@H]([C@H]([C@@H]1O)O)C O)CO |
N-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)piperidin-3-yl]acetamide |
| 49063 |  Z8Z CHEMBL2347184 ZINC000095602460 |
1 | C37 H48 N6 O5 S | InChI=1S/C37H48N6O5S/c1-2 5(2)33(42-36(45)43(5)21-3 1-23-49-35(40-31)26(3)4)3 4(44)39-29(18-27-12-8-6-9 -13-27)16-17-30(19-28-14- 10-7-11-15-28)41-37(46)47 -22-32-20-38-24-48-32/h6- 15,20,23-26,29-30,33H,16- 19,21-22H2,1-5H3,(H,39,44 )(H,41,46)(H,42,45)/t29-, 30-,33+/m1/s1; ZBUUPRZMJYAPQF-QSCLJHCWSA-N |
CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O )N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ocnc3) Cc4ccccc4; O=C(OCc1ocnc1)NC(Cc2ccccc2)CC C(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C)C(C) C)Cc4ccccc4; CC(C)c1nc(cs1)CN(C)C(=O)N[C @@H](C(C)C)C(=O)N[C@H](CC[C@H](Cc2ccccc2 )NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)c1nc(cs 1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CCC(Cc2cccc c2)NC(=O)OCc3cnco3)Cc4ccccc4; CC(C)[C@H] (NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C C[C@H](Cc2ccccc2)NC(=O)OCc3ocnc3)Cc4cccc c4 |
N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenylhexan-2-yl]-L-valinamide |
| 49064 |  Z90 CHEMBL1236936 DB16126 ZINC000003934935 |
5 | C36 H39 N O5 | InChI=1S/C36H39NO5/c38-35 (39)12-6-7-24-37(26-30-19 -21-33(22-20-30)36(40)41) 25-23-32-10-4-5-11-34(32) 42-27-31-17-15-29(16-18-3 1)14-13-28-8-2-1-3-9-28/h 1-5,8-11,15-22H,6-7,12-14 ,23-27H2,(H,38,39)(H,40,4 1); WPYWMXNXEZFMAK-UHFFFAOYSA-N |
OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3 )cc2)Cc4ccc(cc4)C(O)=O; c1ccc(cc1)CCc2cc c(cc2)COc3ccccc3CC[N@@](CCCCC(=O)O)Cc4cc c(cc4)C(=O)O; c1ccc(cc1)CCc2ccc(cc2)COc3 ccccc3CCN(CCCCC(=O)O)Cc4ccc(cc4)C(=O)O |
4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid; 4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid) |
| 49065 |  Z92 CHEMBL1088012 ZINC000034008497 |
2 | C17 H15 Cl N4 O3 | InChI=1S/C17H15ClN4O3/c1- 24-13-8-3-10(9-14(13)25-2 )15-16(17(23)22-20-15)21- 19-12-6-4-11(18)5-7-12/h3 -9,19H,1-2H3,(H,21,22,23); UXJPKQXTZFNBHT-UHFFFAOYSA-N |
COc1ccc(cc1OC)C\2=NNC(=O)C\2=N/Nc3ccc(Cl )cc3; COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc (cc3)Cl; COc1ccc(cc1OC)C\2=NNC(=O)/C2=N/ Nc3ccc(cc3)Cl; COc1ccc(cc1OC)C2=NNC(=O)C 2=NNc3ccc(Cl)cc3 |
(4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one; (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one |
| 49066 |  Z93 |
2 | C24 H19 N4 O4 | InChI=1S/C24H18N4O4/c1-32 -19-9-6-17-13-28(21(29)20 (17)11-19)14-24(22(30)26- 23(31)27-24)18-7-4-15(5-8 -18)16-3-2-10-25-12-16/h2 -13H,14H2,1H3,(H-,26,27,3 0,31)/p+1/t24-/m0/s1; IPWWTFLYEBQOPS-DEOSSOPVSA-O |
COc1ccc2c(c1)C(=O)[N+](=C2)CC3(C(=O)NC(= O)N3)c4ccc(cc4)c5cccnc5; COc1ccc2c(c1)C( =O)[N+](=C2)C[C@@]3(C(=O)NC(=O)N3)c4ccc( cc4)c5cccnc5; COc1ccc2C=[N+](C[C]3(NC(=O )NC3=O)c4ccc(cc4)c5cccnc5)C(=O)c2c1; COc 1ccc2C=[N+](C[C@]3(NC(=O)NC3=O)c4ccc(cc4 )c5cccnc5)C(=O)c2c1 |
2-{[(4R)-2,5-dioxo-4-(4-pyridin-3-ylphenyl)imidazolidin-4-yl]methyl}-6-methoxy-1-oxo-1H-isoindolium; N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE |
| 49067 |  Z94 ZINC000039334731 |
1 | C11 H11 N3 O3 | InChI=1S/C11H11N3O3/c1-6( 15)12-8-4-2-7(3-5-8)9-10( 16)14-11(17)13-9/h2-5,9H, 1H3,(H,12,15)(H2,13,14,16 ,17)/t9-/m0/s1; GUTQNQMNYWTMBT-VIFPVBQESA-N |
CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O; CC(=O )Nc1ccc(cc1)[C@H]2C(=O)NC(=O)N2; CC(=O)N c1ccc(cc1)[C@@H]2NC(=O)NC2=O; CC(=O)Nc1c cc(cc1)C2C(=O)NC(=O)N2 |
N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide; 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID |
| 49068 |  Z96 CHEMBL601202 ZINC000044460009 |
1 | C28 H32 Cl N5 O3 | InChI=1S/C28H32ClN5O3/c1- 28(2,3)37-27(36)34-12-10- 33(11-13-34)25-20-8-7-19( 29)15-21(20)22(14-18-6-5- 9-31-24(18)25)26(35)23-16 -30-17-32(23)4/h5-9,14-17 ,25-26,35H,10-13H2,1-4H3/ t25-,26+/m0/s1; YZFYPECRJZGSGJ-IZZNHLLZSA-N |
CC(C)(C)OC(=O)N1CCN(CC1)C2c3ccc(cc3C(=Cc 4c2nccc4)C(c5cncn5C)O)Cl; CC(C)(C)OC(=O) N1CCN(CC1)[C@H]2c3ccc(cc3C(=Cc4c2nccc4)[ C@H](c5cncn5C)O)Cl; Cn1cncc1[CH](O)C2=Cc 3cccnc3[CH](N4CCN(CC4)C(=O)OC(C)(C)C)c5c cc(Cl)cc25; Cn1cncc1[C@H](O)C2=Cc3cccnc3 [C@@H](N4CCN(CC4)C(=O)OC(C)(C)C)c5ccc(Cl )cc25 |
tert-butyl 4-{(11S)-8-chloro-6-[(R)-hydroxy(1-methyl-1H-imidazol-5-yl)methyl]-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl}piperazine-1-carboxylate; 1,1-DIMETHYLETHYL 4-[8-CHLORO-6-[HYDROXY(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11(S)-YL]-1-PIPERAZINECARBOXYLATE |
| 49069 |  Z97 ZINC000058651042 |
8 | C13 H20 N3 O7 P | InChI=1S/C13H20N3O7P/c1-8 -12(17)10(6-15-4-2-3-11(1 4)13(18)19)9(5-16-8)7-23- 24(20,21)22/h5-6,11,17H,2 -4,7,14H2,1H3,(H,18,19)(H 2,20,21,22)/b15-6+/t11-/m 0/s1; RMKYDMCVWSLEGI-DMSFABOWSA-N |
Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[CH](N)C(O) =O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCCC[C@ H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O) O)C=NCCCC(C(=O)O)N)O; Cc1c(c(c(cn1)COP(= O)(O)O)/C=N/CCC[C@@H](C(=O)O)N)O |
(E)-N~5~-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-ornithine |
| 49070 |  Z98 ZINC000058649364 |
8 | C12 H18 N3 O7 P | InChI=1S/C12H18N3O7P/c1-7 -11(16)9(5-14-3-2-10(13)1 2(17)18)8(4-15-7)6-22-23( 19,20)21/h4-5,10,16H,2-3, 6,13H2,1H3,(H,17,18)(H2,1 9,20,21)/b14-5-/t10-/m0/s 1; BBWBZEWRKQXPMM-YXBHYIBOSA-N |
Cc1c(c(c(cn1)COP(=O)(O)O)C=NCCC(C(=O)O)N )O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[CH](N)C (O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(C=NCC[ C@H](N)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)( O)O)/C=N\CC[C@@H](C(=O)O)N)O |
(2S)-2-amino-4-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}butanoic acid |
| 49071 |  Z99 CHEMBL432038 ZINC000003826602 |
32 | C20 H19 N O5 | InChI=1S/C20H19NO5/c21-20 (19(24)25,15-9-13(15)18(2 2)23)10-14-11-5-1-3-7-16( 11)26-17-8-4-2-6-12(14)17 /h1-8,13-15H,9-10,21H2,(H ,22,23)(H,24,25)/t13-,15- ,20-/m0/s1; VLZBRVJVCCNPRJ-KPHUOKFYSA-N |
c1ccc2c(c1)C(c3ccccc3O2)C[C@]([C@H]4C[C@ @H]4C(=O)O)(C(=O)O)N; N[C@@](CC1c2ccccc2 Oc3ccccc13)([C@H]4C[C@@H]4C(O)=O)C(O)=O; c1ccc2c(c1)C(c3ccccc3O2)CC(C4CC4C(=O)O) (C(=O)O)N; N[C](CC1c2ccccc2Oc3ccccc13)([ CH]4C[CH]4C(O)=O)C(O)=O |
2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine; (1S,2S)-2-[(2S)-2-amino-1-hydroxy-1-oxo-3-(9H-xanthen-9-yl)propan-2-yl]cyclopropane-1-carboxylic acid |
| 49072 |  Z9A |
1 | C18 H24 Br N3 O5 | InChI=1S/C18H24BrN3O5/c1- 11(18(26)27-2)21-17(25)14 (10-15(20)23)22-16(24)5-3 -4-12-6-8-13(19)9-7-12/h6 -9,11,14H,3-5,10H2,1-2H3, (H2,20,23)(H,21,25)(H,22, 24)/t11-,14+/m0/s1; UMJYMQGCXBKOHD-SMDDNHRTSA-N |
COC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(= O)CCCc1ccc(Br)cc1; C[C@@H](C(=O)OC)NC(=O )[C@@H](CC(=O)N)NC(=O)CCCc1ccc(cc1)Br; C C(C(=O)OC)NC(=O)C(CC(=O)N)NC(=O)CCCc1ccc (cc1)Br; COC(=O)[CH](C)NC(=O)[CH](CC(N)= O)NC(=O)CCCc1ccc(Br)cc1; Brc1ccc(CCCC(=O )NC(CC(N)=O)C(=O)NC(C)C(=O)OC)cc1 |
methyl N~2~-[4-(4-bromophenyl)butanoyl]-D-asparaginyl-L-alaninate |
| 49073 |  Z9D ZINC000005851334 |
1 | C6 H12 O5 | InChI=1S/C6H12O5/c7-2-3-1 -4(8)5(9)6(10)11-3/h3-10H ,1-2H2/t3-,4-,5+,6+/m0/s1; HDEMQQHXNOJATE-UNTFVMJOSA-N |
C1C(OC(C(C1O)O)O)CO; OC[CH]1C[CH](O)[CH] (O)[CH](O)O1; C1[C@H](O[C@H]([C@@H]([C@H ]1O)O)O)CO; OC[C@@H]1C[C@H](O)[C@@H](O)[ C@H](O)O1; OC1CC(OC(O)C1O)CO |
4-deoxy-beta-D-xylo-hexopyranose |
| 49074 |  Z9E ZINC000013545755 |
1 | C6 H12 O5 S | InChI=1S/C6H12O5S/c7-1-2- 3(8)4(9)5(10)6(12)11-2/h2 -10,12H,1H2/t2-,3-,4+,5-, 6-/m1/s1; JUSMHIGDXPKSID-VFUOTHLCSA-N |
OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H] 1O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C(C(O1 )S)O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@H]( [C@H](O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH]( O)[CH](O)[CH]1O |
1-thio-alpha-D-glucopyranose |
| 49075 |  Z9G |
1 | C14 H17 Br N2 O4 | InChI=1S/C14H17BrN2O4/c15 -10-6-4-9(5-7-10)2-1-3-13 (19)17-11(14(20)21)8-12(1 6)18/h4-7,11H,1-3,8H2,(H2 ,16,18)(H,17,19)(H,20,21) /t11-/m1/s1; VRZHKETUQBKIPG-LLVKDONJSA-N |
NC(=O)C[CH](NC(=O)CCCc1ccc(Br)cc1)C(O)=O ; c1cc(ccc1CCCC(=O)N[C@H](CC(=O)N)C(=O)O )Br; Brc1ccc(CCCC(=O)NC(CC(N)=O)C(=O)O)c c1; NC(=O)C[C@@H](NC(=O)CCCc1ccc(Br)cc1) C(O)=O; c1cc(ccc1CCCC(=O)NC(CC(=O)N)C(=O )O)Br |
N~2~-[4-(4-bromophenyl)butanoyl]-D-asparagine |
| 49076 |  Z9H |
7 | C8 H16 O12 S2 | InChI=1S/C8H16O12S2/c1-16 -5-4(3-18-21(10,11)12)19- 8(9)7(6(5)17-2)20-22(13,1 4)15/h4-9H,3H2,1-2H3,(H,1 0,11,12)(H,13,14,15)/t4-, 5-,6+,7-,8+/m1/s1; KXJTXUUGBKCQJT-CBQIKETKSA-N |
CO[CH]1[CH](CO[S](O)(=O)=O)O[CH](O)[CH]( O[S](O)(=O)=O)[CH]1OC; CO[C@@H]1[C@@H](C O[S](O)(=O)=O)O[C@H](O)[C@H](O[S](O)(=O) =O)[C@H]1OC; CO[C@@H]1[C@H](O[C@@H]([C@@ H]([C@H]1OC)OS(=O)(=O)O)O)COS(=O)(=O)O; O=S(=O)(O)OCC1OC(O)C(OS(=O)(=O)O)C(OC)C1 OC; COC1C(OC(C(C1OC)OS(=O)(=O)O)O)COS(=O )(=O)O |
3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose |
| 49077 |  Z9I ZINC000082591546 |
2 | C6 H14 N2 O2 S | InChI=1S/C6H14N2O2S/c1-11 (9,10)8-4-2-3-6(8)5-7/h6H ,2-5,7H2,1H3/t6-/m1/s1; RYZYXPKYSJEBDD-ZCFIWIBFSA-N |
CS(=O)(=O)N1CCCC1CN; CS(=O)(=O)N1CCC[C@@ H]1CN; C[S](=O)(=O)N1CCC[C@@H]1CN; NCC1C CCN1S(=O)(C)=O; C[S](=O)(=O)N1CCC[CH]1CN |
1-[(2R)-1-(methanesulfonyl)pyrrolidin-2-yl]methanamine |
| 49078 |  Z9J |
0 | C13 H19 N O2 S2 | InChI=1S/C13H19NO2S2/c14- 5-7-18-10-12-3-1-2-11(8-1 2)9-17-6-4-13(15)16/h1-3, 8H,4-7,9-10,14H2,(H,15,16 ); HDBIDFYDMNICRF-UHFFFAOYSA-N |
c1cc(cc(c1)CSCCN)CSCCC(=O)O; NCCSCc1cccc (CSCCC(O)=O)c1 |
3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid; 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid |
| 49079 |  Z9K |
5 | C7 H12 O10 S | InChI=1S/C7H12O10S/c1-15- 3-2(8)4(6(9)10)16-7(11)5( 3)17-18(12,13)14/h2-5,7-8 ,11H,1H3,(H,9,10)(H,12,13 ,14)/t2-,3-,4+,5+,7+/m0/s 1; ANYCAUYSISUNKI-QVVHOTIMSA-N |
COC1C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O; CO[ C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OS(=O)( =O)O)O)C(=O)O)O; CO[CH]1[CH](O)[CH](O[CH ](O)[CH]1O[S](O)(=O)=O)C(O)=O; O=C(O)C1O C(O)C(OS(=O)(=O)O)C(OC)C1O; CO[C@H]1[C@H ](O)[C@@H](O[C@@H](O)[C@@H]1O[S](O)(=O)= O)C(O)=O |
3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid |
| 49080 |  Z9L |
8 | C7 H14 O15 S3 | InChI=1S/C7H14O15S3/c1-18 -7-6(22-25(15,16)17)5(21- 24(12,13)14)4(8)3(20-7)2- 19-23(9,10)11/h3-8H,2H2,1 H3,(H,9,10,11)(H,12,13,14 )(H,15,16,17)/t3-,4-,5+,6 -,7+/m1/s1; KOFWJYYHIXJXAE-ZFYZTMLRSA-N |
CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[ C@H](O[S](O)(=O)=O)[C@H]1O[S](O)(=O)=O; CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO S(=O)(=O)O)O)OS(=O)(=O)O)OS(=O)(=O)O; CO [CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O[ S](O)(=O)=O)[CH]1O[S](O)(=O)=O; O=S(=O)( O)OCC1OC(OC)C(OS(=O)(=O)O)C(OS(=O)(=O)O) C1O; COC1C(C(C(C(O1)COS(=O)(=O)O)O)OS(=O )(=O)O)OS(=O)(=O)O |
methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside |
| 49081 |  Z9M DB02865 ZINC000005830009 |
12 | C6 H14 N O8 P | InChI=1S/C6H14NO8P/c7-3-4 (9)5(15-16(11,12)13)2(1-8 )14-6(3)10/h2-6,8-10H,1,7 H2,(H2,11,12,13)/t2-,3-,4 -,5-,6-/m1/s1; QWDBGVNDGYUIAC-QZABAPFNSA-N |
C(C1C(C(C(C(O1)O)N)O)OP(=O)(O)O)O; N[CH] 1[CH](O)O[CH](CO)[CH](O[P](O)(O)=O)[CH]1 O; N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[P]( O)(O)=O)[C@@H]1O; C([C@@H]1[C@H]([C@@H]( [C@H]([C@@H](O1)O)N)O)OP(=O)(O)O)O; O=P( O)(O)OC1C(OC(O)C(N)C1O)CO |
2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose; 4-O-phosphono-beta-D-glucosamine; 2-amino-2-deoxy-4-O-phosphono-beta-D-glucose; 2-amino-2-deoxy-4-O-phosphono-D-glucose; 2-amino-2-deoxy-4-O-phosphono-glucose |
| 49082 |  Z9N CHEMBL4748482 ZINC000003830876 |
22 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-3-4 (9)5(10)6(11,2-8)12-3/h3- 5,7-11H,1-2H2/t3-,4-,5+,6 +/m1/s1; RFSUNEUAIZKAJO-ZXXMMSQZSA-N |
OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@ @H]([C@@](O1)(CO)O)O)O)O; OC[CH]1O[C](O) (CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O) O)O; OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H ]1O |
alpha-D-fructofuranose; alpha-D-fructose; D-fructose; fructose |
| 49083 |  Z9W |
0 | C8 H15 N O5 | InChI=1S/C8H15NO5/c1-3-6( 11)7(12)5(8(13)14-3)9-4(2 )10/h3,5-8,11-13H,1-2H3,( H,9,10)/t3-,5-,6-,7-,8-/m 1/s1; XOCCAGJZGBCJME-PNAXYBNRSA-N |
C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O ; C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H]( O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)C)C; C [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC (=O)C)O)O; CC1C(C(C(C(O1)O)NC(=O)C)O)O |
2-acetamido-2-deoxy-beta-D-quinovopyranose; 2-acetamido-2,6-deoxy-beta-D-glucopyranose; 6-deoxy-N-acetyl-beta-D-glucosamine; N-acetyl-beta-D-quinosamine; 2-acetamido-2-deoxy-beta-D-quinovose; 2-acetamido-2-deoxy-D-quinovose; 2-acetamido-2-deoxy-quinovose; 2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose |
| 49084 |  Z9Z ZINC000098209657 |
1 | C39 H50 N6 O4 S | InChI=1S/C39H50N6O4S/c1-2 7(2)35(44-38(47)45(5)24-3 4-26-50-37(42-34)28(3)4)3 6(46)41-32(21-29-13-8-6-9 -14-29)18-19-33(22-30-15- 10-7-11-16-30)43-39(48)49 -25-31-17-12-20-40-23-31/ h6-17,20,23,26-28,32-33,3 5H,18-19,21-22,24-25H2,1- 5H3,(H,41,46)(H,43,48)(H, 44,47)/t32-,33+,35+/m0/s1; DXYIYKUZINROPB-VUHKNJSWSA-N |
CC(C)c1nc(cs1)CN(C)C(=O)NC(C(C)C)C(=O)NC (CCC(Cc2ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc 4; CC(C)[CH](NC(=O)N(C)Cc1csc(n1)C(C)C)C (=O)N[CH](CC[CH](Cc2ccccc2)NC(=O)OCc3ccc nc3)Cc4ccccc4; O=C(OCc1cccnc1)NC(Cc2cccc c2)CCC(NC(=O)C(NC(=O)N(Cc3nc(sc3)C(C)C)C )C(C)C)Cc4ccccc4; CC(C)[C@@H](NC(=O)N(C) Cc1csc(n1)C(C)C)C(=O)N[C@@H](CC[C@H](Cc2 ccccc2)NC(=O)OCc3cccnc3)Cc4ccccc4; CC(C) c1nc(cs1)CN(C)C(=O)N[C@H](C(C)C)C(=O)N[C @@H](CC[C@H](Cc2ccccc2)NC(=O)OCc3cccnc3) Cc4ccccc4 |
pyridin-3-ylmethyl [(2R,5S)-5-{[N-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-D-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate |
| 49085 |  ZA2 ZINC000199226722 |
2 | C8 H10 B Cl N O4 | InChI=1S/C8H10BClNO4/c10- 7-4-2-1-3-6(7)8(12)11-5-9 (13,14)15/h1-4,13-15H,5H2 ,(H,11,12)/q-1; QHCGFAIMVLWXJG-UHFFFAOYSA-N |
O[B-](O)(O)CNC(=O)c1ccccc1Cl; [B-](CNC(= O)c1ccccc1Cl)(O)(O)O |
[(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON; 2-CHLOROBENZAMIDOMETHYLBORONIC ACID |
| 49086 |  ZA3 ZINC000199226740 |
5 | C8 H10 B N2 O6 | InChI=1S/C8H10BN2O6/c12-8 (10-5-9(13,14)15)6-3-1-2- 4-7(6)11(16)17/h1-4,13-15 H,5H2,(H,10,12)/q-1; YKMUZZUWSQWVEH-UHFFFAOYSA-N |
O[B-](O)(O)CNC(=O)c1ccccc1[N+]([O-])=O; [B-](CNC(=O)c1ccccc1[N+](=O)[O-])(O)(O)O |
TRIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON |
| 49087 |  ZA4 ZINC000199226759 |
1 | C8 H10 B F N O4 | InChI=1S/C8H10BFNO4/c10-7 -4-2-1-3-6(7)8(12)11-5-9( 13,14)15/h1-4,13-15H,5H2, (H,11,12)/q-1; GSERMWXQEOLTTB-UHFFFAOYSA-N |
[B-](CNC(=O)c1ccccc1F)(O)(O)O; O[B-](O)( O)CNC(=O)c1ccccc1F |
[(2-FLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON |
| 49088 |  ZA5 ZINC000199226777 |
1 | C8 H9 B F2 N O4 | InChI=1S/C8H9BF2NO4/c10-5 -2-1-3-6(11)7(5)8(13)12-4 -9(14,15)16/h1-3,14-16H,4 H2,(H,12,13)/q-1; WTOJBPXTZMRWEB-UHFFFAOYSA-N |
[B-](CNC(=O)c1c(cccc1F)F)(O)(O)O; O[B-]( O)(O)CNC(=O)c1c(F)cccc1F |
[(2,6-DIFLUOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON |
| 49089 |  ZA6 ZINC000023338508 |
1 | C23 H23 N3 O S | InChI=1S/C23H23N3OS/c1-17 (20-14-9-15-28-20)26(2)16 -21-24-23(25-27-21)22(18- 10-5-3-6-11-18)19-12-7-4- 8-13-19/h3-15,17,22H,16H2 ,1-2H3/t17-/m0/s1; YMVZNLFSCPAPNW-KRWDZBQOSA-N |
CC(c1cccs1)N(C)Cc2nc(no2)C(c3ccccc3)c4cc ccc4; C[C@@H](c1cccs1)N(C)Cc2nc(no2)C(c3 ccccc3)c4ccccc4; C[C@H](N(C)Cc1onc(n1)C( c2ccccc2)c3ccccc3)c4sccc4; CC(N(C)Cc1nc( no1)C(c1ccccc1)c1ccccc1)c1cccs1; C[CH](N (C)Cc1onc(n1)C(c2ccccc2)c3ccccc3)c4sccc4 |
(1S)-N-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyl-1-(thiophen-2-yl)ethan-1-amine |
| 49090 |  ZA9 ZINC000033884898 |
2 | C13 H16 N2 | InChI=1S/C13H16N2/c1-4-11 (10-3-2-7-14-9-10)12-6-8- 15-13(12)5-1/h1,4-6,8,10, 14-15H,2-3,7,9H2/t10-/m1/ s1; JWMGZQMVMZBMFM-SNVBAGLBSA-N |
c1cc(c2cc[nH]c2c1)C3CCCNC3; C1CNC[CH](C1 )c2cccc3[nH]ccc23; C1CNC[C@@H](C1)c2cccc 3[nH]ccc23; c1cc(c2cc[nH]c2c1)[C@@H]3CCC NC3; c1c[NH]c2cccc(c12)C1CCCNC1 |
4-[(3S)-piperidin-3-yl]-1H-indole |
| 49091 |  ZAA CHEMBL491751 |
1 | C29 H26 N4 O4 | InChI=1S/C29H26N4O4/c1-20 -25(30-29(37-20)22-10-4-2 -5-11-22)15-16-36-24-14-8 -9-21(17-24)18-26-27(19-2 8(34)35)32-33(31-26)23-12 -6-3-7-13-23/h2-14,17H,15 -16,18-19H2,1H3,(H,34,35); QIGYDDWEDSMCSH-UHFFFAOYSA-N |
Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c3)Cc4c(nn (n4)c5ccccc5)CC(=O)O; O=C(O)Cc1nn(nc1Cc4 cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5; Cc1oc(nc1CCOc2cccc(Cc3nn(nc3CC(O)=O)c4cc ccc4)c2)c5ccccc5 |
(5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid; 2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID |
| 49092 |  ZAB ZINC000103562504 |
0 | C15 H15 N3 O2 | InChI=1S/C15H15N3O2/c16-1 0-12-4-2-6-14(8-12)18-17- 13-5-1-3-11(7-13)9-15(19) 20/h1-8H,9-10,16H2,(H,19, 20)/b18-17-; RHNJRPYVLIXHAK-ZCXUNETKSA-N |
c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O; O=C( O)Cc2cccc(\N=N/c1cccc(c1)CN)c2; NCc1cccc (c1)N=Nc2cccc(CC(O)=O)c2 |
(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID |
| 49093 |  ZAD ZINC000058649580 |
0 | C8 H12 N5 O5 P | InChI=1S/C8H12N5O5P/c9-7- 6-8(11-3-10-7)13(4-12-6)1 -5(14)2-18-19(15,16)17/h3 -5,14H,1-2H2,(H2,9,10,11) (H2,15,16,17)/t5-/m0/s1; IDXHXXLVPICOPG-YFKPBYRVSA-N |
Nc1ncnc2n(C[C@H](O)CO[P](O)(O)=O)cnc12; c1nc(c2c(n1)n(cn2)C[C@@H](COP(=O)(O)O)O) N; Nc1ncnc2n(C[CH](O)CO[P](O)(O)=O)cnc12 ; c1nc(c2c(n1)n(cn2)CC(COP(=O)(O)O)O)N; O=P(O)(O)OCC(O)Cn1c2ncnc(c2nc1)N |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-ADENINE |
| 49094 |  ZAE ZINC000012954903 |
0 | C10 H13 N O2 | InChI=1S/C10H13NO2/c1-11- 9(10(12)13)7-8-5-3-2-4-6- 8/h2-6,9,11H,7H2,1H3,(H,1 2,13)/t9-/m1/s1; SCIFESDRCALIIM-SECBINFHSA-N |
CNC(Cc1ccccc1)C(=O)O; CN[C@H](Cc1ccccc1) C(=O)O; CN[C@H](Cc1ccccc1)C(O)=O; CN[CH] (Cc1ccccc1)C(O)=O; O=C(O)C(NC)Cc1ccccc1 |
N-methyl-D-phenylalanine |
| 49095 |  ZAF DB08762 ZINC000039313129 |
1 | C22 H27 N2 O8 P | InChI=1S/C22H27N2O8P/c1-1 5(23-22(28)31-14-18-11-7- 4-8-12-18)20(25)24-16(2)3 3(29,30)32-19(21(26)27)13 -17-9-5-3-6-10-17/h3-12,1 5-16,19H,13-14H2,1-2H3,(H ,23,28)(H,24,25)(H,26,27) (H,29,30)/t15-,16+,19-/m0 /s1; UPJNMOBJDSFRTI-FCEWJHQRSA-N |
C[C@@H](C(=O)N[C@@H](C)[P@@](=O)(O)O[C@@ H](Cc1ccccc1)C(=O)O)NC(=O)OCc2ccccc2; C[ C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)[P@ ](O)(=O)O[C@@H](Cc2ccccc2)C(O)=O; O=C(O) C(OP(=O)(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C) C)Cc2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O )N[CH](C)[P](O)(=O)O[CH](Cc2ccccc2)C(O)= O; CC(C(=O)NC(C)P(=O)(O)OC(Cc1ccccc1)C(= O)O)NC(=O)OCc2ccccc2 |
O-(((1R)-((N-PHENYLMETHOXYCARBONYL-L-ALANYL)AMINO)ETHYL)HYDROXYPHOSPHONO)-L-BENZYLACETIC ACID |
| 49096 |  ZAH DB04033 ZINC000001575977 |
4 | C16 H20 N2 O5 | InChI=1S/C16H20N2O5/c1-11 (14(19)18-9-5-8-13(18)15( 20)21)17-16(22)23-10-12-6 -3-2-4-7-12/h2-4,6-7,11,1 3H,5,8-10H2,1H3,(H,17,22) (H,20,21)/t11-,13-/m0/s1; RSSOZTMMMIWOJB-AAEUAGOBSA-N |
CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCc2ccccc2; C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OCc 2ccccc2; C[CH](NC(=O)OCc1ccccc1)C(=O)N2C CC[CH]2C(O)=O; C[C@H](NC(=O)OCc1ccccc1)C (=O)N2CCC[C@H]2C(O)=O; O=C(O)C2N(C(=O)C( NC(=O)OCc1ccccc1)C)CCC2 |
N-[(BENZYLOXY)CARBONYL]-L-ALANYL-L-PROLINE; Z-ALA PROLINAL |
| 49097 |  ZAI |
0 | C17 H29 N4 O9 P S | InChI=1S/C17H29N4O9PS/c1- 9-14(22)13(10(6-20-9)7-30 -31(27,28)29)15(21-12(8-3 2)17(25)26)19-5-3-2-4-11( 18)16(23)24/h6,11-12,15,1 9,21-22,32H,2-5,7-8,18H2, 1H3,(H,23,24)(H,25,26)(H2 ,27,28,29)/t11-,12+,15+/m 0/s1; ZOOIRKLCYJDYSX-YWPYICTPSA-N |
Cc1ncc(CO[P](O)(O)=O)c([C@H](NCCCC[C@H]( N)C(O)=O)N[C@H](CS)C(O)=O)c1O; Cc1c(c(c( cn1)COP(=O)(O)O)[C@H](NCCCC[C@@H](C(=O)O )N)N[C@H](CS)C(=O)O)O; Cc1ncc(CO[P](O)(O )=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C(NC CCCC(C(=O)O)N)NC(CS)C(=O)O)O |
(2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid |
| 49098 |  ZAL CHEMBL441123 ZINC000012502778 |
0 | C9 H17 N O2 | InChI=1S/C9H17NO2/c10-8(9 (11)12)6-7-4-2-1-3-5-7/h7 -8H,1-6,10H2,(H,11,12)/t8 -/m1/s1; ORQXBVXKBGUSBA-MRVPVSSYSA-N |
N[C@H](CC1CCCCC1)C(O)=O; O=C(O)C(N)CC1CC CCC1; C1CCC(CC1)CC(C(=O)O)N; N[CH](CC1CC CCC1)C(O)=O; C1CCC(CC1)C[C@H](C(=O)O)N |
3-cyclohexyl-D-alanine |
| 49099 |  ZAM CHEMBL109420 DB03534 ZINC000000591143 |
2 | C22 H26 N4 O2 | InChI=1S/C22H26N4O2/c1-15 (27)24(2)13-18-11-17(9-10 -20(18)23)22(28)25(3)14-1 9-12-16-7-5-6-8-21(16)26( 19)4/h5-12H,13-14,23H2,1- 4H3; AWTBJNJPBKTHEV-UHFFFAOYSA-N |
CN(Cc1cc(ccc1N)C(=O)N(C)Cc2cc3ccccc3n2C) C(C)=O; CC(=O)N(C)Cc1cc(ccc1N)C(=O)N(C)C c2cc3ccccc3n2C; O=C(N(C)Cc1c(N)ccc(c1)C( =O)N(C)Cc3cc2ccccc2n3C)C |
3-[(ACETYL-METHYL-AMINO)-METHYL]-4-AMINO-N-METHYL-N-(1-METHYL-1H-INDOL-2-YLMETHYL)-BENZAMIDE |
| 49100 |  ZAN ZINC000034177510 |
19 | C10 H17 N6 O12 P3 | InChI=1S/C10H17N6O12P3/c1 1-8-5-9(13-2-12-8)16(3-14 -5)10-7(18)6(17)4(27-10)1 -26-29(19,20)15-30(21,22) 28-31(23,24)25/h2-4,6-7,1 0,17-18H,1H2,(H2,11,12,13 )(H2,23,24,25)(H3,15,19,2 0,21,22)/t4-,6-,7-,10-/m1 /s1; WUPFAKUEHUVIDK-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O )N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O) (NP(=O)(O)OP(=O)(O)O)O)O)O)N; Nc1ncnc2n( cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)( =O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; Nc1ncn c2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O) (=O)O[P](O)(O)=O)[CH](O)[CH]3O; O=P(O)(O )OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12 )N)C(O)C3O |
5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine |
| 49101 |  ZAP DB08763 ZINC000031260847 |
2 | C16 H18 N3 O5 P | InChI=1S/C16H18N3O5P/c17- 14(18)12-6-8-13(9-7-12)15 (25(21,22)23)19-16(20)24- 10-11-4-2-1-3-5-11/h1-9,1 5H,10H2,(H3,17,18)(H,19,2 0)(H2,21,22,23)/t15-/m1/s 1; FSNDLCSOLUMYRH-OAHLLOKOSA-N |
NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc2ccccc2)[ P](O)(O)=O; [H]/N=C(\c1ccc(cc1)[C@H](NC( =O)OCc2ccccc2)P(=O)(O)O)/N; O=P(O)(O)C(c 1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2; NC (=N)c1ccc(cc1)[CH](NC(=O)OCc2ccccc2)[P]( O)(O)=O; [H]N=C(c1ccc(cc1)C(NC(=O)OCc2cc ccc2)P(=O)(O)O)N |
[N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE; Z-AMIDINOPHENYLMETHANE-PHOSPHONATE |
| 49102 |  ZAR CHEMBL313842 DB02918 ZINC000009230249 |
14 | C12 H10 F2 N2 O3 | InChI=1S/C12H10F2N2O3/c1- 18-10-6-7(2-4-9(10)19-12( 13)14)8-3-5-11(17)16-15-8 /h2-6,12H,1H3,(H,16,17); HJMQDJPMQIHLPB-UHFFFAOYSA-N |
O=C1C=CC(=NN1)c2cc(OC)c(OC(F)F)cc2; COc1 cc(ccc1OC(F)F)C2=NNC(=O)C=C2 |
6-(4-DIFLUOROMETHOXY-3-METHOXY-PHENYL)-2H-PYRIDAZIN-3-ONE |
| 49103 |  ZAS CHEMBL232751 ZINC000013542741 |
3 | C10 H12 N8 O3 | InChI=1S/C10H12N8O3/c11-8 -5-9(14-2-13-8)18(3-15-5) 10-7(20)6(19)4(21-10)1-16 -17-12/h2-4,6-7,10,19-20H ,1H2,(H2,11,13,14)/t4-,6- ,7-,10-/m1/s1; SKWSYTVBPHWKHX-KQYNXXCUSA-N |
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C @H](O3)CN=[N+]=[N-])O)O)N; Nc1ncnc2n(cnc 12)[C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[ C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN= [N+]=[N-])O)O)N; Nc1ncnc2n(cnc12)[CH]3O[ CH](CN=[N+]=[N-])[CH](O)[CH]3O; Nc1ncnc2 c1ncn2C1OC(C/N=[N+]=[N-])C(O)C1O |
5'-azido-5'-deoxyadenosine |
| 49104 |  ZAT CHEMBL142485 ZINC000013981739 |
1 | C19 H24 N10 O | InChI=1S/C19H24N10O/c1-11 (26-28-17(20)21)13-3-7-15 (8-4-13)24-19(30)25-16-9- 5-14(6-10-16)12(2)27-29-1 8(22)23/h3-10H,1-2H3,(H4, 20,21,28)(H4,22,23,29)(H2 ,24,25,30)/b26-11+,27-12+; HCAQGQIHBFVVIX-LYXAAFRTSA-N |
CC(=NNC(N)=N)c1ccc(NC(=O)Nc2ccc(cc2)C(C) =NNC(N)=N)cc1; C\C(=N/NC(N)=N)c1ccc(NC(= O)Nc2ccc(cc2)\C(C)=N\NC(N)=N)cc1; O=C(Nc 1ccc(cc1)\C(=N\NC(=[N@H])N)C)Nc2ccc(\C(= N\NC(=[N@H])N)C)cc2; [H]N=C(N)NN=C(C)c1c cc(cc1)NC(=O)Nc2ccc(cc2)C(=NNC(=N[H])N)C ; [H]/N=C(\N)/N/N=C(\C)/c1ccc(cc1)NC(=O) Nc2ccc(cc2)/C(=N/N/C(=N/[H])/N)/C |
4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) |
| 49105 |  ZAW CHEMBL1604922 ZINC000000346100 |
0 | C11 H8 N2 O | InChI=1S/C11H8N2O/c14-11( 9-3-1-5-12-7-9)10-4-2-6-1 3-8-10/h1-8H; AQLPDLOXKZRZEV-UHFFFAOYSA-N |
c1cc(cnc1)C(=O)c2cccnc2; O=C(c1cccnc1)c2 cccnc2 |
di(pyridin-3-yl)methanone |
| 49106 |  ZAZ ZINC000001702866 |
1 | C11 H22 O | InChI=1S/C11H22O/c12-10-6 -2-5-9-11-7-3-1-4-8-11/h1 1-12H,1-10H2; DOUCFSUZXLHVHJ-UHFFFAOYSA-N |
C1CCC(CC1)CCCCCO; OCCCCCC1CCCCC1 | 5-cyclohexylpentan-1-ol |
| 49107 |  ZB0 |
1 | C8 H16 O6 | InChI=1S/C8H16O6/c1-12-6- 5(10)4(3-9)14-8(11)7(6)13 -2/h4-11H,3H2,1-2H3/t4-,5 -,6+,7-,8+/m1/s1; SQYIWHJCOMWKNU-CBQIKETKSA-N |
CO[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@ H]1OC; O(C)C1C(OC)C(O)C(OC1O)CO; CO[CH]1 [CH](O)O[CH](CO)[CH](O)[CH]1OC; COC1C(C( OC(C1OC)O)CO)O; CO[C@H]1[C@@H]([C@H](O[C @@H]([C@@H]1OC)O)CO)O |
2,3-di-O-methyl-alpha-D-glucopyranose |
| 49108 |  ZB1 ZINC000003861772 |
5 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-6- 4(9)3(2-8)13-7(11)5(6)10/ h3-11H,2H2,1H3/t3-,4-,5-, 6+,7+/m1/s1; SCBBSJMAPKXHAH-OVHBTUCOSA-N |
CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@ H]1O; COC1C(C(OC(C1O)O)CO)O; CO[C@H]1[C@ @H]([C@H](O[C@@H]([C@@H]1O)O)CO)O; CO[CH ]1[CH](O)[CH](O)O[CH](CO)[CH]1O; O(C1C(O )C(OC(O)C1O)CO)C |
3-O-methyl-alpha-D-glucopyranose |
| 49109 |  ZB2 ZINC000034191099 |
0 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-6- 5(10)4(9)3(2-8)13-7(6)11/ h3-11H,2H2,1H3/t3-,4-,5+, 6-,7+/m1/s1; UMPNFVHHMOSNAC-ZFYZTMLRSA-N |
CO[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O; CO [C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O )O; O(C)C1C(O)C(O)C(OC1O)CO; COC1C(C(C(O C1O)CO)O)O; CO[C@H]1[C@@H](O)O[C@H](CO)[ C@@H](O)[C@@H]1O |
2-O-methyl-alpha-D-glucopyranose |
| 49110 |  ZB3 |
0 | C8 H16 O6 | InChI=1S/C8H16O6/c1-12-3- 4-5(9)6(10)7(13-2)8(11)14 -4/h4-11H,3H2,1-2H3/t4-,5 -,6+,7-,8+/m1/s1; CJUQCEZPMNQPIV-CBQIKETKSA-N |
O(C)C1C(O)C(O)C(OC1O)COC; COC[CH]1O[CH]( O)[CH](OC)[CH](O)[CH]1O; COC[C@H]1O[C@H] (O)[C@H](OC)[C@@H](O)[C@@H]1O; COCC1C(C( C(C(O1)O)OC)O)O; COC[C@@H]1[C@H]([C@@H]( [C@H]([C@H](O1)O)OC)O)O |
2,6-di-O-methyl-alpha-D-glucopyranose |
| 49111 |  ZB4 CHEMBL4856175 ZINC000058085799 |
32 | C23 H31 N3 O3 S | InChI=1S/C23H31N3O3S/c1-2 9-23-14-8-7-13-22(23)26-1 7-15-25(16-18-26)21-12-6- 5-11-20(21)24-30(27,28)19 -9-3-2-4-10-19/h2-4,7-10, 13-14,20-21,24H,5-6,11-12 ,15-18H2,1H3/t20-,21-/m0/ s1; OVTXOMMQHRIKGL-SFTDATJTSA-N |
COc1ccccc1N2CCN(CC2)C3CCCCC3NS(=O)(=O)c4 ccccc4; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[C @@H]3NS(=O)(=O)c4ccccc4; COc1ccccc1N2CCN (CC2)[CH]3CCCC[CH]3N[S](=O)(=O)c4ccccc4; O=S(=O)(NC1CCCCC1N1CCN(CC1)c1ccccc1OC)c 1ccccc1; COc1ccccc1N2CCN(CC2)[C@H]3CCCC[ C@@H]3N[S](=O)(=O)c4ccccc4 |
N-{(1S,2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide |
| 49112 |  ZB6 ZINC000000235512 |
1 | C10 H17 N O3 S | InChI=1S/C10H17NO3S/c1-7- 3-2-4-8(10(13)14)11(7)9(1 2)5-6-15/h7-8,15H,2-6H2,1 H3,(H,13,14)/t7-,8-/m1/s1; UHIOKYGCFGNNCU-HTQZYQBOSA-N |
C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(=O)O; CC1 CCCC(N1C(=O)CCS)C(=O)O; O=C(N1C(C(=O)O)C CCC1C)CCS; C[CH]1CCC[CH](N1C(=O)CCS)C(O) =O; C[C@@H]1CCC[C@@H](N1C(=O)CCS)C(O)=O |
(2R,6R)-6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid |
| 49113 |  ZB9 CHEMBL5276931 |
1 | C20 H22 Cl2 N6 O | InChI=1S/C20H22Cl2N6O/c1- 27(20-17-4-5-23-19(17)25- 12-26-20)16-3-2-6-28(11-1 6)18(29)10-24-15-8-13(21) 7-14(22)9-15/h4-5,7-9,12, 16,24H,2-3,6,10-11H2,1H3, (H,23,25,26)/t16-/m1/s1; RXWBGONJVWQVFN-MRXNPFEDSA-N |
CN([CH]1CCCN(C1)C(=O)CNc2cc(Cl)cc(Cl)c2) c3ncnc4[nH]ccc34; CN([C@@H]1CCCN(C1)C(=O )CNc2cc(Cl)cc(Cl)c2)c3ncnc4[nH]ccc34; CN (c1c2cc[nH]c2ncn1)[C@@H]3CCCN(C3)C(=O)CN c4cc(cc(c4)Cl)Cl; O=C(CNc1cc(Cl)cc(Cl)c1 )N1CCCC(C1)N(C)c1ncnc2[NH]ccc21; CN(c1c2 cc[nH]c2ncn1)C3CCCN(C3)C(=O)CNc4cc(cc(c4 )Cl)Cl |
2-(3,5-dichloroanilino)-1-{(3R)-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}ethan-1-one |
| 49114 |  ZBA ZINC000058649583 |
5 | C24 H32 O9 | InChI=1S/C24H32O9/c1-12(2 )7-18(27)32-16-9-23(10-29 -14(4)25)17(8-13(16)3)33- 21-19(28)20(31-15(5)26)22 (23,6)24(21)11-30-24/h8,1 6-17,19-21,28H,1,7,9-11H2 ,2-6H3/t16-,17+,19+,20+,2 1+,22+,23+,24-/m0/s1; JESYGVLQSIZOBZ-QYWOHJEZSA-N |
CC1=C[C@@H]2[C@](C[C@@H]1OC(=O)CC(=C)C)( [C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O )OC(=O)C)C)COC(=O)C; O=C(OC4C(=CC3OC2C1( OC1)C(C(OC(=O)C)C2O)(C)C3(COC(=O)C)C4)C) CC(=C)\C; CC(=C)CC(=O)O[C@H]1C[C@@]2(COC (C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C) =O)[C@@]2(C)[C@]34CO4)C=C1C; CC(=C)CC(=O )O[CH]1C[C]2(COC(C)=O)[CH](O[CH]3[CH](O) [CH](OC(C)=O)[C]2(C)[C]34CO4)C=C1C; CC1= CC2C(CC1OC(=O)CC(=C)C)(C3(C(C(C(C34CO4)O 2)O)OC(=O)C)C)COC(=O)C |
12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol-4,15-diacetate-8-isovalerate |
| 49115 |  ZBC ZINC000058649731 |
0 | C7 H11 Br N3 O6 P | InChI=1S/C7H11BrN3O6P/c8- 5-2-11(7(13)10-6(5)9)1-4( 12)3-17-18(14,15)16/h2,4, 12H,1,3H2,(H2,9,10,13)(H2 ,14,15,16)/t4-/m0/s1; VBQHVDIFDLFEIT-BYPYZUCNSA-N |
C1=C(C(=NC(=O)N1C[C@@H](COP(=O)(O)O)O)N) Br; NC1=NC(=O)N(C[CH](O)CO[P](O)(O)=O)C= C1Br; C1=C(C(=NC(=O)N1CC(COP(=O)(O)O)O)N )Br; O=C1N=C(C(Br)=CN1CC(O)COP(=O)(O)O)N ; NC1=NC(=O)N(C[C@H](O)CO[P](O)(O)=O)C=C 1Br |
(2S)-3-(4-AMINO-5-BROMO-2-OXOPYRIMIDIN-1(2H)-YL)-2-HYDROXYPROPYL DIHYDROGEN PHOSPHATE |
| 49116 |  ZBD ZINC000231374928 |
1 | C25 H29 F6 N3 O5 S | InChI=1S/C25H29F6N3O5S/c1 -17(13-15-35)32(2)22(36)8 -5-14-33-20-6-3-4-7-21(20 )34(40(33,38)39)16-18-9-1 1-19(12-10-18)23(37,24(26 ,27)28)25(29,30)31/h3-4,6 -7,9-12,17,35,37H,5,8,13- 16H2,1-2H3/t17-/m1/s1; SULHDXFOLGGHOR-QGZVFWFLSA-N |
C[CH](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3ccc (cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O; C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(Cc3cc c(cc3)C(O)(C(F)(F)F)C(F)(F)F)[S]1(=O)=O; C[C@H](CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(= O)=O)Cc3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O; N2(c1ccccc1N(S2(=O)=O)CCCC(N(C(C)CCO)C)= O)Cc3ccc(cc3)C(C(F)(F)F)(O)C(F)(F)F; CC( CCO)N(C)C(=O)CCCN1c2ccccc2N(S1(=O)=O)Cc3 ccc(cc3)C(C(F)(F)F)(C(F)(F)F)O |
4-{3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)benzyl]-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl}-N-[(2R)-4-hydroxybutan-2-yl]-N-methylbutanamide |
| 49117 |  ZBF CHEMBL4436073 ZINC000210264517 |
4 | C20 H24 N4 O8 | InChI=1S/C20H24N4O8/c1-2- 12-4-3-5-13(10-12)24(32)1 7(26)9-7-15(19(29)22-11-1 8(27)28)23-16(25)8-6-14(2 1)20(30)31/h1,3-5,10,14-1 5,32H,6-9,11,21H2,(H,22,2 9)(H,23,25)(H,27,28)(H,30 ,31)/t14-,15-/m0/s1; DNHXPPJCZZCCCC-GJZGRUSLSA-N |
C#Cc1cccc(c1)N(C(=O)CCC(C(=O)NCC(=O)O)NC (=O)CCC(C(=O)O)N)O; N[CH](CCC(=O)N[CH](C CC(=O)N(O)c1cccc(c1)C#C)C(=O)NCC(O)=O)C( O)=O; N[C@@H](CCC(=O)N[C@@H](CCC(=O)N(O) c1cccc(c1)C#C)C(=O)NCC(O)=O)C(O)=O; C#Cc 1cccc(c1)N(C(=O)CC[C@@H](C(=O)NCC(=O)O)N C(=O)CC[C@@H](C(=O)O)N)O; O=C(O)C(N)CCC( =O)NC(C(=O)NCC(=O)O)CCC(=O)N(O)c1cc(C#C) ccc1 |
L-gamma-glutamyl-N-(3-ethynylphenyl)-N-hydroxy-L-glutaminylglycine |
| 49118 |  ZBH ZINC000170689220 |
0 | C10 H14 N2 O S | InChI=1S/C10H14N2OS/c1-6- 12-9-7(10(13)11-2)4-3-5-8 (9)14-6/h7H,3-5H2,1-2H3,( H,11,13)/t7-/m0/s1; VHNBWPBVIQVVTE-ZETCQYMHSA-N |
Cc1nc2c(s1)CCC[C@@H]2C(=O)NC; CNC(=O)[CH ]1CCCc2sc(C)nc12; Cc1nc2c(s1)CCCC2C(=O)N C; CNC(=O)[C@H]1CCCc2sc(C)nc12; CNC(=O)C 1CCCc2sc(C)nc21 |
(4S)-N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide |
| 49119 |  ZBL |
1 | C25 H27 Cl N2 O7 | InChI=1S/C25H27ClN2O7/c26 -15-3-4-17-13(9-15)1-2-14 -10-16(29)11-27-19(14)18( 17)12-5-7-28(8-6-12)24-22 (32)20(30)21(31)23(35-24) 25(33)34/h3-4,9-11,20-24, 29-32H,1-2,5-8H2,(H,33,34 )/t20-,21-,22+,23-,24+/m0 /s1; ABXRQJRQHLGUBH-OSFFKXSWSA-N |
c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN(CC4)[C@ H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O )O)O)O; c1cc2c(cc1Cl)CCc3cc(cnc3C2=C4CCN (CC4)C5C(C(C(C(O5)C(=O)O)O)O)O)O; O[C@@H ]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O)=O )N2CC\C(CC2)=C3/c4ccc(Cl)cc4CCc5cc(O)cnc 35; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)= O)N2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cc(O)cnc3 5; Clc1cc2CCc3cc(O)cnc3C(\c2cc1)=C1/CCN( CC1)C1OC(C(O)C(O)C1O)C(=O)O |
8-chloro-11-(1-beta-D-glucopyranuronosylpiperidin-4-ylidene)-3-hydroxy-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine |
| 49120 |  ZBR ZINC000003121805 |
0 | C9 H9 Br3 | InChI=1S/C9H9Br3/c10-4-7- 1-8(5-11)3-9(2-7)6-12/h1- 3H,4-6H2; GHITVUOBZBZMND-UHFFFAOYSA-N |
c1c(cc(cc1CBr)CBr)CBr; BrCc1cc(CBr)cc(CB r)c1; BrCc1cc(cc(c1)CBr)CBr |
1,3,5-tris(bromomethyl)benzene |
| 49121 |  ZBS CHEMBL4466771 ZINC000219752308 |
1 | C26 H26 N6 O2 S2 | InChI=1S/C26H26N6O2S2/c33 -21(14-17-8-3-1-4-9-17)27 -25-31-29-23(35-25)19-12- 7-13-20(16-19)24-30-32-26 (36-24)28-22(34)15-18-10- 5-2-6-11-18/h1-6,8-11,19- 20H,7,12-16H2,(H,27,31,33 )(H,28,32,34)/t19-,20-/m0 /s1; CZRVPWLXPUBTMI-PMACEKPBSA-N |
c1ccc(cc1)CC(=O)Nc2nnc(s2)[C@H]3CCC[C@@H ](C3)c4nnc(s4)NC(=O)Cc5ccccc5; O=C(Cc1cc ccc1)Nc2sc(nn2)[CH]3CCC[CH](C3)c4sc(NC(= O)Cc5ccccc5)nn4; c1ccc(cc1)CC(=O)Nc2nnc( s2)C3CCCC(C3)c4nnc(s4)NC(=O)Cc5ccccc5; O =C(Cc1ccccc1)Nc2sc(nn2)[C@H]3CCC[C@@H](C 3)c4sc(NC(=O)Cc5ccccc5)nn4 |
2-phenyl-~{N}-[5-[(1~{S},3~{S})-3-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]ethanamide |
| 49122 |  ZBT ZINC000005924623 |
1 | C7 H13 N S | InChI=1S/C7H13NS/c1-3-6(2 )7-8-4-5-9-7/h6H,3-5H2,1- 2H3/t6-/m0/s1; SAWWKXMIPYUIBW-LURJTMIESA-N |
CC[C@H](C)C1=NCCS1; CC[CH](C)C1=NCCS1; C CC(C)C1=NCCS1 |
2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole; 2-sec-butyl-4,5-dihydrothiazole |
| 49123 |  ZBU ZINC000066156999 |
0 | C7 H10 Br N2 O7 P | InChI=1S/C7H10BrN2O7P/c8- 5-2-10(7(13)9-6(5)12)1-4( 11)3-17-18(14,15)16/h2,4, 11H,1,3H2,(H,9,12,13)(H2, 14,15,16)/t4-/m0/s1; FBWWPOSBYNOMBJ-BYPYZUCNSA-N |
O[CH](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC1=O ; O[C@H](CO[P](O)(O)=O)CN1C=C(Br)C(=O)NC 1=O; C1=C(C(=O)NC(=O)N1CC(COP(=O)(O)O)O) Br; O=P(O)(O)OCC(O)CN1C=C(Br)C(=O)NC1=O; C1=C(C(=O)NC(=O)N1C[C@@H](COP(=O)(O)O)O )Br |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-5-BROMO-URACIL |
| 49124 |  ZBX |
1 | C23 H22 O8 | InChI=1S/C23H22O8/c1-4-23 (29)9-13(24)15-11(18(23)2 2(28)31-3)8-12-17(20(15)2 6)21(27)16-10(19(12)25)6- 5-7-14(16)30-2/h5-8,13,18 ,24,26,29H,4,9H2,1-3H3/t1 3-,18-,23+/m0/s1; NTDFHDOMIWPJES-PUMRXTBWSA-N |
CC[C@@]1(O)C[C@H](O)c2c(O)c3C(=O)c4c(OC) cccc4C(=O)c3cc2[C@H]1C(=O)OC; CC[C@]1(C[ C@@H](c2c(cc3c(c2O)C(=O)c4c(cccc4OC)C3=O )[C@H]1C(=O)OC)O)O; CC[C]1(O)C[CH](O)c2c (O)c3C(=O)c4c(OC)cccc4C(=O)c3cc2[CH]1C(= O)OC; CCC1(CC(c2c(cc3c(c2O)C(=O)c4c(cccc 4OC)C3=O)C1C(=O)OC)O)O |
methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate |
| 49125 |  ZBZ CHEMBL1561060 ZINC000003954221 |
0 | C10 H11 N O3 S | InChI=1S/C10H11NO3S/c11-8 (9(12)13)6-15-10(14)7-4-2 -1-3-5-7/h1-5,8H,6,11H2,( H,12,13)/t8-/m0/s1; OWZIPHGMKGSDNS-QMMMGPOBSA-N |
O=C(O)C(N)CSC(=O)c1ccccc1; c1ccc(cc1)C(= O)SC[C@@H](C(=O)O)N; c1ccc(cc1)C(=O)SCC( C(=O)O)N; N[CH](CSC(=O)c1ccccc1)C(O)=O; N[C@@H](CSC(=O)c1ccccc1)C(O)=O |
S-(phenylcarbonyl)-L-cysteine |
| 49126 |  ZC0 CHEMBL3287379 DB12796 |
0 | C18 H15 F3 N4 O4 | InChI=1S/C18H15F3N4O4/c19 -12-7-13(15(20)16(21)17(1 2)24-4-1-10(26)2-5-24)25- 9-11(29-18(25)27)8-22-14- 3-6-28-23-14/h1,3-4,6-7,1 1H,2,5,8-9H2,(H,22,23)/t1 1-/m0/s1; SULYVXZZUMRQAX-NSHDSACASA-N |
c1conc1NC[C@H]2CN(C(=O)O2)c3cc(c(c(c3F)F )N4CCC(=O)C=C4)F; c1conc1NCC2CN(C(=O)O2) c3cc(c(c(c3F)F)N4CCC(=O)C=C4)F; Fc1cc(N2 C[CH](CNc3ccon3)OC2=O)c(F)c(F)c1N4CCC(=O )C=C4; Fc1cc(N2C[C@H](CNc3ccon3)OC2=O)c( F)c(F)c1N4CCC(=O)C=C4; C1C(C=CN(C1)c2c(F )cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O |
Contezolid; MRX-I |
| 49127 |  ZC3 CHEMBL4754469 ZINC000584905719 |
4 | C9 H7 F N2 O S | InChI=1S/C9H7FN2OS/c1-5(1 3)11-9-12-7-4-6(10)2-3-8( 7)14-9/h2-4H,1H3,(H,11,12 ,13); DPZGAHUPXGKUDW-UHFFFAOYSA-N |
CC(=O)Nc1nc2cc(ccc2s1)F; CC(=O)Nc1sc2ccc (F)cc2n1 |
N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE |
| 49128 |  ZC9 ZINC000143636950 |
8 | C8 H6 F N3 | InChI=1S/C8H6FN3/c9-6-1-2 -7(10-5-6)8-3-4-11-12-8/h 1-5H,(H,11,12); ADBMBWBQQBJNNZ-UHFFFAOYSA-N |
c1cc(ncc1F)c2ccn[nH]2; Fc1cnc(cc1)c1ccn[ NH]1; Fc1ccc(nc1)c2[nH]ncc2 |
(2P)-5-fluoro-2-(1H-pyrazol-5-yl)pyridine |
| 49129 |  ZCD ZINC000004097152 |
1 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4-,5+,6+/m 1/s1; WQZGKKKJIJFFOK-RDQKPOQOSA-N |
OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1 O; C(C1C(C(C(C(O1)O)O)O)O)O; OC[CH]1O[CH ](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@@H ]([C@H]([C@@H]([C@H](O1)O)O)O)O)O; OC1C( O)C(OC(O)C1O)CO |
alpha-D-idopyranose; alpha-D-idose; D-idose; idose |
| 49130 |  ZCF CHEMBL1598041 |
1 | C21 H27 N5 O | InChI=1S/C21H27N5O/c1-16- 6-8-18(9-7-16)21(10-4-5-1 1-21)20-23-19(27-24-20)15 -25(2)13-17-12-22-26(3)14 -17/h6-9,12,14H,4-5,10-11 ,13,15H2,1-3H3; PYOPUXIDJFMOTI-UHFFFAOYSA-N |
CN(Cc1cnn(C)c1)Cc2onc(n2)C3(CCCC3)c4ccc( C)cc4; Cn1cc(cn1)CN(C)Cc1nc(no1)C1(CCCC1 )c1ccc(C)cc1; Cc1ccc(cc1)C2(CCCC2)c3nc(o n3)CN(C)Cc4cnn(c4)C |
N-methyl-1-{3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}-N-[(1-methyl-1H-pyrazol-4-yl)methyl]methanamine |
| 49131 |  ZCI CHEMBL292042 ZINC000002577854 |
3 | C3 H3 Br N2 | InChI=1S/C3H3BrN2/c4-3-5- 1-2-6-3/h1-2H,(H,5,6); AXHRGVJWDJDYPO-UHFFFAOYSA-N |
Brc1[nH]ccn1; Brc1ncc[NH]1; c1cnc([nH]1) Br |
2-bromo-1H-imidazole |
| 49132 |  ZCL CHEMBL4866247 ZINC000001652104 |
0 | C9 H9 Cl2 N O2 | InChI=1S/C9H9Cl2NO2/c10-6 -2-1-5(3-7(6)11)4-8(12)9( 13)14/h1-3,8H,4,12H2,(H,1 3,14)/t8-/m0/s1; NRCSJHVDTAAISV-QMMMGPOBSA-N |
c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl; c1cc(c (cc1CC(C(=O)O)N)Cl)Cl; Clc1ccc(cc1Cl)CC( C(=O)O)N; N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O) =O; N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O |
3,4-dichloro-L-phenylalanine |
| 49133 |  ZCM |
0 | Cm | InChI=1S/Cm/q+3; NIWWFAAXEMMFMS-UHFFFAOYSA-N |
[Cm+3] | CURIUM ION |
| 49134 |  ZCQ CHEMBL13888 ZINC000001576887 |
3 | C6 H5 N O3 | InChI=1S/C6H5NO3/c8-6-3-1 -2-5(4-6)7(9)10/h1-4,8H; RTZZCYNQPHTPPL-UHFFFAOYSA-N |
O=[N+]([O-])c1cccc(O)c1; c1cc(cc(c1)O)[N +](=O)[O-]; Oc1cccc(c1)[N+]([O-])=O |
3-nitrophenol |
| 49135 |  ZCT ZINC000058649733 |
9 | C32 H26 O14 | InChI=1S/C32H26O14/c1-9-2 1-15(3-11(45-9)5-19(35)36 )29(41)23-17(33)7-13(27(3 9)25(23)31(21)43)14-8-18( 34)24-26(28(14)40)32(44)2 2-10(2)46-12(6-20(37)38)4 -16(22)30(24)42/h7-12,33- 34,39-40H,3-6H2,1-2H3,(H, 35,36)(H,37,38)/t9-,10-,1 1+,12+/m1/s1; VTIKDEXOEJDMJP-WYUUTHIRSA-N |
C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c( cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5= O)C[C@H](O[C@@H]6C)CC(=O)O)O)O; C[CH]1O[ CH](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2 =O)c4cc(O)c5C(=O)C6=C([CH](C)O[CH](CC(O) =O)C6)C(=O)c5c4O; O=C(O)CC6OC(C5=C(C(=O) c4c(O)cc(c2cc(O)c1C(=O)C3=C(C(=O)c1c2O)C (OC(C3)CC(=O)O)C)c(O)c4C5=O)C6)C; C[C@H] 1O[C@H](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O) c3C2=O)c4cc(O)c5C(=O)C6=C([C@@H](C)O[C@H ](CC(O)=O)C6)C(=O)c5c4O; CC1C2=C(CC(O1)C C(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c 4O)C(=O)C6=C(C5=O)CC(OC6C)CC(=O)O)O)O |
2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid |
| 49136 |  ZCW CHEMBL226545 ZINC000000003252 |
13 | C10 H11 N O | InChI=1S/C10H11NO/c12-6-5 -8-7-11-10-4-2-1-3-9(8)10 /h1-4,7,11-12H,5-6H2; MBBOMCVGYCRMEA-UHFFFAOYSA-N |
OCCc1c[nH]c2ccccc12; OCCc2c1ccccc1nc2; c 1ccc2c(c1)c(c[nH]2)CCO |
2-(1H-indol-3-yl)ethanol |
| 49137 |  ZCY ZINC000058649738 |
0 | C7 H12 N3 O6 P | InChI=1S/C7H12N3O6P/c8-6- 1-2-10(7(12)9-6)3-5(11)4- 16-17(13,14)15/h1-2,5,11H ,3-4H2,(H2,8,9,12)(H2,13, 14,15)/t5-/m0/s1; IQHBYFSDRWZBDG-YFKPBYRVSA-N |
O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N; NC1=NC( =O)N(C[CH](O)CO[P](O)(O)=O)C=C1; C1=CN(C (=O)N=C1N)C[C@@H](COP(=O)(O)O)O; C1=CN(C (=O)N=C1N)CC(COP(=O)(O)O)O; NC1=NC(=O)N( C[C@H](O)CO[P](O)(O)=O)C=C1 |
(S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE |
| 49138 |  ZCZ |
1 | C11 H21 N O7 | InChI=1S/C11H21NO7/c1-5-7 (12-10(16)6(14)3-4-13)8(1 5)9(18-2)11(17)19-5/h5-9, 11,13-15,17H,3-4H2,1-2H3, (H,12,16)/t5-,6-,7-,8+,9+ ,11+/m1/s1; BYURRTCQJAPYFR-CWJAVHARSA-N |
CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O) CCO)[CH]1O; CC1C(C(C(C(O1)O)OC)O)NC(=O)C (CCO)O; CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H ](NC(=O)[C@H](O)CCO)[C@@H]1O; O=C(NC1C(O C(O)C(OC)C1O)C)C(O)CCO; C[C@@H]1[C@H]([C @@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H] (CCO)O |
4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose |
| 49139 |  ZD0 |
1 | C11 H21 N O7 | InChI=1S/C11H21NO7/c1-5-7 (12-10(17)6(14)3-4-13)8(1 5)9(16)11(18-2)19-5/h5-9, 11,13-16H,3-4H2,1-2H3,(H, 12,17)/t5-,6-,7-,8+,9+,11 +/m1/s1; ASFHRCHAPWVLRF-CWJAVHARSA-N |
CC1C(C(C(C(O1)OC)O)O)NC(=O)C(CCO)O; CO[C @H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C @H](O)[C@@H]1O; O=C(NC1C(OC(OC)C(O)C1O)C )C(O)CCO; C[C@@H]1[C@H]([C@@H]([C@@H]([C @H](O1)OC)O)O)NC(=O)[C@@H](CCO)O; CO[CH] 1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[C H]1O |
methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside |
| 49140 |  ZD1 |
2 | C13 H23 N O9 | InChI=1S/C13H23NO9/c14-5- 1-4(2-15)12(10(20)7(5)17) 23-13-11(21)9(19)8(18)6(3 -16)22-13/h1,5-13,15-21H, 2-3,14H2/t5-,6+,7-,8+,9-, 10+,11+,12+,13+/m0/s1; UINFOZNGFLXUEC-QHWKHWDXSA-N |
N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C @@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O; C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@ @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O) O)CO; N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[ CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; OCC1= CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O; C1= C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)C O |
(1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside |
| 49141 |  ZD2 ZINC000015203321 |
4 | C9 H11 N5 O3 | InChI=1S/C9H11N5O3/c10-7- 6-8(12-3-11-7)14(4-13-6)2 -1-5(15)9(16)17/h3-5,15H, 1-2H2,(H,16,17)(H2,10,11, 12)/t5-/m0/s1; NWPWVFAEENVVJM-YFKPBYRVSA-N |
Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12; Nc1ncnc 2n(CC[C@H](O)C(O)=O)cnc12; c1nc(c2c(n1)n (cn2)CCC(C(=O)O)O)N; c1nc(c2c(n1)n(cn2)C C[C@@H](C(=O)O)O)N; O=C(O)C(CCn2c1ncnc(c 1nc2)N)O |
(2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid |
| 49142 |  ZD3 |
1 | C16 H18 F3 N3 O | InChI=1S/C16H18F3N3O/c1-1 0-2-3-13-12(6-10)14(7-15( 21-13)16(17,18)19)22-5-4- 20-11(8-22)9-23/h2-3,6-7, 11,20,23H,4-5,8-9H2,1H3/t 11-/m0/s1; BWADWGMLGZVJNC-NSHDSACASA-N |
Cc1ccc2nc(cc(N3CCN[C@H](CO)C3)c2c1)C(F)( F)F; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[ C@@H](C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1) N1CC(NCC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F )F)N3CCNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH]( CO)C3)c2c1)C(F)(F)F |
{(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol |
| 49143 |  ZD4 |
1 | C10 H14 Cl N5 O10 P2 | InChI=1S/C10H14ClN5O10P2/ c11-10-14-7(12)4-8(15-10) 16(2-13-4)9-6(18)5(17)3(2 5-9)1-24-28(22,23)26-27(1 9,20)21/h2-3,5-6,9,17-18H ,1H2,(H,22,23)(H2,12,14,1 5)(H2,19,20,21)/t3-,5-,6- ,9-/m1/s1; POWNGKCXGCOKLX-UUOKFMHZSA-N |
c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H] (O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N; Nc1nc (Cl)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O )O[P](O)(O)=O)[C@@H](O)[C@H]3O; O=P(O)(O )OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C( O)C1O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O) (O)OP(=O)(O)O)O)O)Cl)N; Nc1nc(Cl)nc2n(cn c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O) [CH](O)[CH]3O |
2-chloroadenosine 5'-(trihydrogen diphosphate) |
| 49144 |  ZD5 |
1 | C16 H18 F3 N3 O | InChI=1S/C16H18F3N3O/c1-1 0-2-3-13-12(6-10)14(7-15( 21-13)16(17,18)19)22-5-4- 20-11(8-22)9-23/h2-3,6-7, 11,20,23H,4-5,8-9H2,1H3/t 11-/m1/s1; BWADWGMLGZVJNC-LLVKDONJSA-N |
Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[C@H]( C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(N CC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3C CNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](CO)C3) c2c1)C(F)(F)F; Cc1ccc2nc(cc(N3CCN[C@@H]( CO)C3)c2c1)C(F)(F)F |
{(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol |
| 49145 |  ZD6 CHEMBL24828 DB05294 ZINC000053683345 |
1 | C22 H24 Br F N4 O2 | InChI=1S/C22H24BrFN4O2/c1 -28-7-5-14(6-8-28)12-30-2 1-11-19-16(10-20(21)29-2) 22(26-13-25-19)27-18-4-3- 15(23)9-17(18)24/h3-4,9-1 1,13-14H,5-8,12H2,1-2H3,( H,25,26,27); UHTHHESEBZOYNR-UHFFFAOYSA-N |
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN( C)CC4; CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3) Nc4ccc(cc4F)Br |
Vandetanib; ZD6474 |
| 49146 |  ZD7 CHEMBL159096 ZINC000003784334 |
1 | C26 H26 N6 O | InChI=1S/C26H26N6O/c1-3-1 9-15-24-22(23(4-2)27-19)1 3-14-25(33)32(24)16-17-9- 11-18(12-10-17)20-7-5-6-8 -21(20)26-28-30-31-29-26/ h5-12,15H,3-4,13-14,16H2, 1-2H3,(H,28,29,30,31); BFVNEYDCFJNLGN-UHFFFAOYSA-N |
CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C (=O)CCc2c(CC)n1; O=C2N(c1cc(nc(c1CC2)CC) CC)Cc5ccc(c3ccccc3c4nnnn4)cc5; CCc1cc2c( c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[n H]nnn5 |
5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one |
| 49147 |  ZD9 ZINC000095920937 |
2 | C14 H15 N3 O | InChI=1S/C14H15N3O/c1-4-5 -15-8-11-7-12-13(6-9(11)2 )16-10(3)17-14(12)18/h6-7 ,15H,8H2,1-3H3,(H,16,17,1 8); VHJQNTIPWBTKDM-UHFFFAOYSA-N |
CC#CNCc1cc2c(cc1C)N=C(NC2=O)C; CC#CNCc1c c2C(=O)NC(=Nc2cc1C)C; O=C1c2cc(c(cc2N=C( N1)C)C)CNC#CC |
2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one |
| 49148 |  ZDA CHEMBL1162355 ZINC000013829365 |
8 | C10 H16 N5 O11 P3 | InChI=1S/C10H16N5O11P3/c1 -5-6(24-28(19,20)26-29(21 ,22)25-27(16,17)18)2-7(23 -5)15-4-14-8-9(11)12-3-13 -10(8)15/h3-7H,2H2,1H3,(H ,19,20)(H,21,22)(H2,11,12 ,13)(H2,16,17,18)/t5-,6+, 7-/m1/s1; ZJGUOEYCABTFNH-DSYKOEDSSA-N |
C[C@H]1O[C@H](C[C@@H]1O[P](O)(=O)O[P](O) (=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23; O=P(O )(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(nc nc12)N)C3)C; C[CH]1O[CH](C[CH]1O[P](O)(= O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc 23; C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncn c3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O; CC1C(C C(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP (=O)(O)O |
2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate); 2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE |
| 49149 |  ZDC ZINC000166514822 |
113 | C8 H14 O6 | InChI=1S/C8H14O6/c1-3-6(1 1)8(13)7(12)4(14-3)2-5(9) 10/h3-4,6-8,11-13H,2H2,1H 3,(H,9,10)/t3-,4-,6+,7+,8 +/m0/s1; YTZUDUWVQZSKNN-OASCRQMUSA-N |
O=C(O)CC1OC(C(O)C(O)C1O)C; CC1C(C(C(C(O1 )CC(=O)O)O)O)O; C[C@@H]1O[C@@H](CC(O)=O) [C@@H](O)[C@H](O)[C@@H]1O; C[CH]1O[CH](C C(O)=O)[CH](O)[CH](O)[CH]1O; C[C@H]1[C@H ]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O |
3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid |
| 49150 |  ZDF CHEMBL5556282 ZINC000011817504 |
1 | C22 H29 N5 O | InChI=1S/C22H29N5O/c1-3-2 6(15-16-27-14-6-13-23-27) 17-20-24-21(25-28-20)22(1 1-4-5-12-22)19-9-7-18(2)8 -10-19/h6-10,13-14H,3-5,1 1-12,15-17H2,1-2H3; CIGIIVQVOWUOHH-UHFFFAOYSA-N |
CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C )cc4; Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn 2cccn2)on1; CCN(CCn1cccn1)Cc2nc(no2)C3(C CCC3)c4ccc(cc4)C |
N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine |
| 49151 |  ZDG CHEMBL5267903 ZINC000114342050 |
1 | C26 H25 Cl2 N5 O4 | InChI=1S/C26H25Cl2N5O4/c1 -18-24(26(34)30-31-14-4-2 -5-15-31)29-32(23-13-12-2 1(27)17-22(23)28)25(18)20 -10-8-19(9-11-20)7-3-6-16 -37-33(35)36/h8-13,17H,2, 4-6,14-16H2,1H3,(H,30,34); KXXKUWQMQUYUSE-UHFFFAOYSA-N |
Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCC O[N+]([O-])=O)C(=O)NN4CCCCC4; Cc1c(n(nc1 C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4) C#CCCO[N+](=O)[O-] |
4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate |
| 49152 |  ZDJ CHEMBL3808433 ZINC000001713866 |
0 | C10 H13 N O3 | InChI=1S/C10H13NO3/c1-6-4 -7(2-3-9(6)12)5-8(11)10(1 3)14/h2-4,8,12H,5,11H2,1H 3,(H,13,14)/t8-/m0/s1; MQHLULPKDLJASZ-QMMMGPOBSA-N |
Cc1cc(CC(N)C(=O)O)ccc1O; Cc1cc(ccc1O)CC( C(=O)O)N; Cc1cc(ccc1O)C[C@@H](C(=O)O)N; Cc1cc(C[CH](N)C(O)=O)ccc1O; Cc1cc(C[C@H] (N)C(O)=O)ccc1O |
3-methyl-L-tyrosine |
| 49153 |  ZDK CHEMBL5563667 |
1 | C23 H27 N3 O2 | InChI=1S/C23H27N3O2/c1-27 -17-18-12-14-26(15-13-18) 16-21-24-23(25-28-21)22(1 9-8-4-2-5-9-19)20-10-6-3- 7-11-20/h2-11,18,22H,12-1 7H2,1H3; XYPQCOBQQQTCFN-UHFFFAOYSA-N |
COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1cccc c1; COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4 ccccc4; COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc 3)c4ccccc4 |
1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine |
| 49154 |  ZDL |
1 | C5 H12 N2 | InChI=1S/C5H12N2/c1-6-3-4 -7(2)5-6/h3-5H2,1-2H3; SMWUDAKKCDQTPV-UHFFFAOYSA-N |
CN1CCN(C1)C; CN1CCN(C)C1 | 1,3-dimethylimidazolidine |
| 49155 |  ZDM CHEMBL1738948 ZINC000066157001 |
9 | C21 H40 O11 | InChI=1S/C21H40O11/c1-2-3 -4-5-6-7-8-9-29-20-18(28) 16(26)19(13(11-23)31-20)3 2-21-17(27)15(25)14(24)12 (10-22)30-21/h12-28H,2-11 H2,1H3/t12-,13-,14-,15+,1 6-,17-,18-,19-,20-,21-/m1 /s1; KCCBGPCYGBPHBR-ZESVGKPKSA-N |
CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2) CO)O)O)O)O)O; CCCCCCCCCO[CH]1O[CH](CO)[C H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[ CH](O)[CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO )[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]( O)[C@H]2O)[C@H](O)[C@H]1O; O(CCCCCCCCC)C 2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; C CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H] (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H] (O2)CO)O)O)O)O)O |
nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside; nonyl-beta-D-maltoside |
| 49156 |  ZDO |
7 | C7 H15 N O11 S2 | InChI=1S/C7H15NO11S2/c1-1 7-7-4(8-20(11,12)13)6(10) 5(9)3(19-7)2-18-21(14,15) 16/h3-10H,2H2,1H3,(H,11,1 2,13)(H,14,15,16)/t3-,4-, 5-,6-,7+/m1/s1; UWLKUQLVRABNAG-GKHCUFPYSA-N |
COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(= O)O; O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C (O)C1O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH] (O)[CH](O)[CH]1N[S](O)(=O)=O; CO[C@H]1O[ C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@ H]1N[S](O)(=O)=O; CO[C@@H]1[C@@H]([C@H]( [C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)( =O)O |
methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside |
| 49157 |  ZDP |
11 | C8 H16 N2 O4 | InChI=1S/C8H16N2O4/c1-8(1 0,7(13)14)4-2-3-5(9)6(11) 12/h5H,2-4,9-10H2,1H3,(H, 11,12)(H,13,14)/t5-,8-/m0 /s1; TVZGBXIJPFGQBJ-XNCJUZBTSA-N |
C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N; C[C] (N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC(C(= O)O)N)(C(=O)O)N; C[C@](N)(CCC[C@H](N)C(O )=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)O)C |
(2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID |
| 49158 |  ZDR |
15 | C8 H16 N2 O4 | InChI=1S/C8H16N2O4/c1-8(1 0,7(13)14)4-2-3-5(9)6(11) 12/h5H,2-4,9-10H2,1H3,(H, 11,12)(H,13,14)/t5-,8+/m0 /s1; TVZGBXIJPFGQBJ-YLWLKBPMSA-N |
C[C](N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC (C(=O)O)N)(C(=O)O)N; C[C@@](N)(CCC[C@H]( N)C(O)=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O) O)C; C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N |
(2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID |
| 49159 |  ZDU ZINC000058649875 |
0 | C12 H20 N3 O8 P | InChI=1S/C12H20N3O8P/c13- 3-1-2-7-5-15(12(18)14-11( 7)17)10-4-8(16)9(23-10)6- 22-24(19,20)21/h5,8-10,16 H,1-4,6,13H2,(H,14,17,18) (H2,19,20,21)/t8-,9+,10+/ m0/s1; DPQBGKUKUKNQCZ-IVZWLZJFSA-N |
NCCCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)= O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1CCCN)C2 OC(C(O)C2)COP(=O)(O)O; C1[C@@H]([C@H](O[ C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O ; C1C(C(OC1N2C=C(C(=O)NC2=O)CCCN)COP(=O) (O)O)O; NCCCC1=CN([C@H]2C[C@H](O)[C@@H]( CO[P](O)(O)=O)O2)C(=O)NC1=O |
5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE |
| 49160 |  ZDV CHEMBL12722 ZINC000000152271 |
0 | C7 H8 F N | InChI=1S/C7H8FN/c8-7-3-1- 2-6(4-7)5-9/h1-4H,5,9H2; QVSVMNXRLWSNGS-UHFFFAOYSA-N |
c1cc(cc(c1)F)CN; NCc1cccc(F)c1; Fc1cc(cc c1)CN |
1-(3-fluorophenyl)methanamine |
| 49161 |  ZE0 ZINC000102192298 |
35 | C40 H56 O | InChI=1S/C40H56O/c1-33(2) 19-13-22-36(5)25-16-28-37 (6)26-14-23-34(3)20-11-12 -21-35(4)24-15-27-38(7)29 -17-30-39(8)31-18-32-40(9 ,10)41/h11-17,19-30,41H,1 8,31-32H2,1-10H3/b12-11+, 22-13+,23-14+,24-15+,28-1 6+,29-17+,34-20+,35-21+,3 6-25+,37-26+,38-27+,39-30 +; SBVLKWMQRFTYPE-WRNKADOOSA-N |
CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C /C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C )(C)O; OC(C)(C)CCCC(=C\C=C\C(=C\C=C\C(=C \C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(\C)C )C)C)C)C)C)\C; CC(=CC=CC(=CC=CC(=CC=CC(= CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O) C)C)C)C; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(= C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC CC(C)(C)O)/C)/C)/C)C; CC(C)=CC=CC(C)=CC= CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C (C)CCCC(C)(C)O |
(3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol |
| 49162 |  ZE2 CHEMBL5568461 ZINC000067490685 |
1 | C17 H25 N O5 S | InChI=1S/C17H25NO5S/c1-23 -15-6-7-16(14-5-3-2-4-13( 14)15)24(21,22)18-10-8-17 (20,12-19)9-11-18/h6-7,19 -20H,2-5,8-12H2,1H3; HMRYHSCJKFERQE-UHFFFAOYSA-N |
COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO )CC3; OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CC CCc21)CO; COc1ccc(c2c1CCCC2)S(=O)(=O)N3C CC(CC3)(CO)O |
4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol |
| 49163 |  ZE7 |
4 | C12 H24 O | InChI=1S/C12H24O/c13-11-7 -2-1-4-8-12-9-5-3-6-10-12 /h12-13H,1-11H2; SRWKSFRBHIWJSD-UHFFFAOYSA-N |
OCCCCCCC1CCCCC1; C1CCC(CC1)CCCCCCO | 6-cyclohexylhexan-1-ol |
| 49164 |  ZE8 CHEMBL504567 DB03068 ZINC000006119090 |
1 | C9 H12 N2 O5 | InChI=1S/C9H12N2O5/c12-4- 5-6(13)7(14)8(16-5)11-3-1 -2-10-9(11)15/h1-3,5-8,12 -14H,4H2/t5-,6-,7-,8-/m1/ s1; RPQZTTQVRYEKCR-WCTZXXKLSA-N |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=N C2=O; O=C1N=CC=CN1C2OC(C(O)C2O)CO; OC[CH ]1O[CH]([CH](O)[CH]1O)N2C=CC=NC2=O; C1=C N(C(=O)N=C1)C2C(C(C(O2)CO)O)O; C1=CN(C(= O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O )O |
Zebularine |
| 49165 |  ZE9 |
2 | C14 H16 N2 O3 | InChI=1S/C14H16N2O3/c1-9- 5-6-13(19-9)11-8-12(14-4- 3-7-18-14)16(15-11)10(2)1 7/h3-7,11-12,15H,8H2,1-2H 3/t11-,12-/m1/s1; PRJVEKCLDLKKGJ-VXGBXAGGSA-N |
CC(=O)N1N[C@H](C[C@@H]1c2occc2)c3oc(C)cc 3; Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3; C C(=O)N1NC(CC1c1ccco1)c1ccc(C)o1; Cc1ccc( o1)C2C[C@@H](N(N2)C(=O)C)c3ccco3; CC(=O) N1N[CH](C[CH]1c2occc2)c3oc(C)cc3 |
1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one |
| 49166 |  ZEA CHEMBL525239 DB11337 ZINC000004492895 |
44 | C10 H13 N5 O | InChI=1S/C10H13N5O/c1-7(4 -16)2-3-11-9-8-10(13-5-12 -8)15-6-14-9/h2,5-6,16H,3 -4H2,1H3,(H2,11,12,13,14, 15)/b7-2+; UZKQTCBAMSWPJD-FARCUNLSSA-N |
CC(=CCNc1c2c([nH]cn2)ncn1)CO; C/C(=C\CNc 1c2c([nH]cn2)ncn1)/CO; CC(/CO)=C\CNc1ncn c2[nH]cnc12; CC(CO)=CCNc1ncnc2[nH]cnc12; n2c1c(ncn1)c(nc2)NC\C=C(/C)CO |
(2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol; TRANS-ZEATIN |
| 49167 |  ZEB ZINC000005835192 |
1 | C9 H14 N2 O6 | InChI=1S/C9H14N2O6/c12-3- 4-6(14)7(15)8(17-4)11-2-1 -5(13)10-9(11)16/h1-2,4-8 ,12-15H,3H2,(H,10,16)/t4- ,5-,6-,7-,8-/m1/s1; LUOTYVSEHPPZEM-FMDGEEDCSA-N |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@ @H](O)NC2=O; C1=CN(C(=O)NC1O)C2C(C(C(O2) CO)O)O; C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C @@H]([C@H](O2)CO)O)O; OC[CH]1O[CH]([CH]( O)[CH]1O)N2C=C[CH](O)NC2=O; O=C1NC(O)C=C N1C2OC(C(O)C2O)CO |
4-HYDROXY-3,4-DIHYDRO-ZEBULARINE |
| 49168 |  ZEC CHEMBL6685 DB08765 |
8 | C7 H6 N2 O3 S2 | InChI=1S/C7H6N2O3S2/c8-14 (11,12)7-9-5-2-1-4(10)3-6 (5)13-7/h1-3,10H,(H2,8,11 ,12); NOOBQTYVTDBXTL-UHFFFAOYSA-N |
c1cc2c(cc1O)sc(n2)S(=O)(=O)N; O=S(=O)(c1 nc2ccc(O)cc2s1)N; N[S](=O)(=O)c1sc2cc(O) ccc2n1 |
6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE |
| 49169 |  ZED CHEMBL16332 DB08766 ZINC000003780852 |
6 | C15 H19 N O3 S2 | InChI=1S/C15H19NO3S2/c1-1 0(9-20)14(17)16-8-12(7-13 (16)15(18)19)21-11-5-3-2- 4-6-11/h2-6,10,12-13,20H, 7-9H2,1H3,(H,18,19)/t10-, 12+,13+/m1/s1; UQWLOWFDKAFKAP-WXHSDQCUSA-N |
C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2cc ccc2; O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C )CS; CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2 ; C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O) Sc2ccccc2; C[C@H](CS)C(=O)N1C[C@H](C[C@H ]1C(O)=O)Sc2ccccc2 |
L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S; ZOFENOPRILAT |
| 49170 |  ZEE ZINC000003581097 |
0 | C6 H12 O6 | InChI=1S/C6H12O6/c7-1-2-3 (8)4(9)5(10)6(11)12-2/h2- 11H,1H2/t2-,3+,4+,5+,6-/m 0/s1; WQZGKKKJIJFFOK-BSQWINAVSA-N |
C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[C@H]( [C@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH]1O [CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1O[ C@H](O)[C@H](O)[C@H](O)[C@@H]1O; OC1C(O) C(OC(O)C1O)CO |
beta-L-talopyranose; beta-L-talose; L-talose; talose; L-talopyranose |
| 49171 |  ZEG ZINC000008225552 |
1 | C19 H17 F N2 O3 S2 | InChI=1S/C19H17FN2O3S2/c2 0-16-5-1-15(2-6-16)19-21- 18(13-26-19)14-3-7-17(8-4 -14)27(23,24)22-9-11-25-1 2-10-22/h1-8,13H,9-12H2; JYTYZKKXJTUPJO-UHFFFAOYSA-N |
Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O )N4CCOCC4; c1cc(ccc1c2nc(cs2)c3ccc(cc3)S (=O)(=O)N4CCOCC4)F; O=S(=O)(N1CCOCC1)c1c cc(cc1)c1csc(n1)c1ccc(F)cc1 |
4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine |
| 49172 |  ZEI CHEMBL122413 ZINC000000009321 |
8 | C16 H14 Cl N O2 | InChI=1S/C16H14ClNO2/c1-2 0-15-4-2-3-14(11-15)18-16 (19)10-7-12-5-8-13(17)9-6 -12/h2-11H,1H3,(H,18,19)/ b10-7+; RYAMDQKWNKKFHD-JXMROGBWSA-N |
COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1; Clc1c cc(/C=C/C(=O)Nc2cccc(OC)c2)cc1; COc1cccc (c1)NC(=O)C=Cc2ccc(cc2)Cl; COc1cccc(NC(= O)/C=C/c2ccc(Cl)cc2)c1; COc1cccc(c1)NC(= O)/C=C/c2ccc(cc2)Cl |
(2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide; SB-366791 |
| 49173 |  ZEK ZINC000013630571 |
1 | C10 H12 N2 O2 | InChI=1S/C10H12N2O2/c1-7( 13)12-9-5-3-4-8(6-9)10(14 )11-2/h3-6H,1-2H3,(H,11,1 4)(H,12,13); FLRVBCQOMWVNPY-UHFFFAOYSA-N |
O=C(C)Nc1cc(ccc1)C(=O)NC; CNC(=O)c1cccc( NC(C)=O)c1; CC(=O)Nc1cccc(c1)C(=O)NC |
3-acetamido-N-methylbenzamide |
| 49174 |  ZEL ZINC000012358689 |
4 | C7 H14 O6 | InChI=1S/C7H14O6/c1-12-7- 6(11)5(10)4(9)3(2-8)13-7/ h3-11H,2H2,1H3/t3-,4-,5-, 6+,7-/m1/s1; HOVAGTYPODGVJG-BNWJMWRWSA-N |
CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO) O)O)O; OC1C(O)C(O)C(OC1OC)CO; CO[C@@H]1O [C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O; CO[ CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; COC1C (C(C(C(O1)CO)O)O)O |
methyl beta-D-altropyranoside |
| 49175 |  ZEM |
1 | C34 H32 N4 O5 Zn | InChI=1S/C34H34N4O5.Zn/c1 -7-20-16(3)24-14-27-21(8- 2)18(5)32(37-27)34(43)33- 19(6)23(10-12-31(41)42)29 (38-33)15-28-22(9-11-30(3 9)40)17(4)25(36-28)13-26( 20)35-24;/h7-8,13-15H,1-2 ,9-12H2,3-6H3,(H5,35,36,3 7,38,39,40,41,42,43);/q;+ 2/p-2/b24-14-,25-13-,26-1 3-,27-14-,28-15-,29-15-,3 4-32+,34-33+;; GKGQUBKNYNPVCL-GYHFSKQYSA-L |
CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N@]5C(=CC6=N C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C( C=C)C5=CC1=N2)C; Cc1c(c2n3c1C(=C4C(=C(C5 =[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C )C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O; CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=N C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C( C=C)C5=CC1=N2)C |
20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II); ZN(II)-(20-OXO-PROTOPORPHYRIN IX) |
| 49176 |  ZEN CHEMBL270527 DB01836 ZINC000003581069 |
5 | C25 H27 Cl N4 O3 S | InChI=1S/C25H27ClN4O3S/c2 6-22-3-1-21-18-24(4-2-20( 21)17-22)34(32,33)30-15-1 3-29(14-16-30)25(31)19-7- 11-28(12-8-19)23-5-9-27-1 0-6-23/h1-6,9-10,17-19H,7 -8,11-16H2; ZLAKCKVFSRSENR-UHFFFAOYSA-N |
Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4 CCN(c3ccncc3)CC4)CC5; c1cc(cc2c1cc(cc2)C l)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5cc ncc5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN (CC3)C(=O)C4CCN(CC4)c5ccncc5 |
[4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE |
| 49177 |  ZEP |
1 | C20 H21 F N2 O2 S2 | InChI=1S/C20H21FN2O2S2/c1 -3-23(4-2)27(24,25)17-11- 9-15(10-12-17)19-14-26-20 (22-19)13-16-7-5-6-8-18(1 6)21/h5-12,14H,3-4,13H2,1 -2H3; PZNJPNGENGJLBG-UHFFFAOYSA-N |
CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3cc ccc3F; CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(C c2ccccc2F)n1; CCN(CC)[S](=O)(=O)c1ccc(cc 1)c2csc(Cc3ccccc3F)n2 |
N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide |
| 49178 |  ZER CHEMBL454173 ZINC000003881412 |
23 | C18 H22 O5 | InChI=1S/C18H22O5/c1-12-6 -5-9-14(19)8-4-2-3-7-13-1 0-15(20)11-16(21)17(13)18 (22)23-12/h3,7,10-12,20-2 1H,2,4-6,8-9H2,1H3/b7-3+/ t12-/m0/s1; MBMQEIFVQACCCH-QBODLPLBSA-N |
CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O; O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C; C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1 )O)O; C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O )c2C(=O)O1; C[CH]1CCCC(=O)CCCC=Cc2cc(O)c c(O)c2C(=O)O1 |
(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione; Zearalenone |
| 49179 |  ZES CHEMBL10413 DB02132 ZINC000000596737 |
1 | C17 H11 Br Cl F N2 O4 | InChI=1S/C17H11BrClFN2O4/ c18-10-2-1-9(13(20)5-10)7 -22-16(25)12-4-3-11(19)6- 14(12)21(17(22)26)8-15(23 )24/h1-6H,7-8H2,(H,23,24); SXONDGSPUVNZLO-UHFFFAOYSA-N |
OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3cc c(Cl)cc13; c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc 3ccc(cc3F)Br)CC(=O)O; Brc1ccc(c(F)c1)CN3 C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O |
[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID |
| 49180 |  ZEU ZINC000002569273 |
0 | C9 H18 O3 | InChI=1S/C9H18O3/c10-8-6- 4-2-1-3-5-7-9(11)12/h10H, 1-8H2,(H,11,12); AFZMICRBFKZNIH-UHFFFAOYSA-N |
O=C(O)CCCCCCCCO; C(CCCCO)CCCC(=O)O; OCCC CCCCCC(O)=O |
9-hydroxynonanoic acid |
| 49181 |  ZEV |
1 | C20 H20 F2 N10 O9 P2 S2 | InChI=1S/C20H22F2N10O9P2S 2/c21-8-6-1-36-42(34,44)4 0-12-7(39-18(9(12)22)31-4 -27-10-14(23)25-3-26-15(1 0)31)2-37-43(35,45)41-13( 8)19(38-6)32-5-28-11-16(3 2)29-20(24)30-17(11)33/h3 -9,12-13,18-19H,1-2H2,(H, 34,44)(H,35,45)(H2,23,25, 26)(H3,24,29,30,33)/p-2/t 6-,7-,8-,9+,12-,13-,18-,1 9-,42-,43-/m1/s1; YSUIQYOGTINQIN-CLMXYZJCSA-L |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P @@]([O-])(=S)O[C@H]5[C@H](F)[C@@H](O[C@@ H]5CO[P@@]([O-])(=S)O[C@@H]3[C@@H]4F)n6c nc7c(N)ncnc67; c1nc(c2c(n1)n(cn2)[C@H]3[ C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5 [C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H] 5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N; c1nc(c2 c(n1)n(cn2)C3C(C4C(O3)COP(=S)(OC5C(C(COP (=S)(O4)[O-])OC5n6cnc7c6N=C(NC7=O)N)F)[O -])F)N; NC1=Nc2c(ncn2C2OC3COP([O-])(=S)O C4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N )ncnc32)C(=O)N1; NC1=Nc2n(cnc2C(=O)N1)[C H]3O[CH]4CO[P]([O-])(=S)O[CH]5[CH](F)[CH ](O[CH]5CO[P]([O-])(=S)O[CH]3[CH]4F)n6cn c7c(N)ncnc67 |
(2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione |
| 49182 |  ZEX |
200 | C40 H56 O2 | InChI=1S/C40H56O2/c1-29(1 7-13-19-31(3)21-23-35-25- 34(6)38(42)28-39(35,7)8)1 5-11-12-16-30(2)18-14-20- 32(4)22-24-37-33(5)26-36( 41)27-40(37,9)10/h11-25,3 4,36,38,41-42H,26-28H2,1- 10H3/b12-11+,17-13+,18-14 +,23-21+,24-22+,29-15+,30 -16+,31-19+,32-20+/t34-,3 6-,38+/m0/s1; YRMDXLDAZBQLBK-WIHRHFSMSA-N |
C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=C C=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C [CH]1O; CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C (=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H]( CC2(C)C)O)C)C)C; OC2CC(=C(\C=C\C(=C\C=C\ C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)C C1(C)C)C)C)C)C)C(C)(C)C2)C; CC1C=C(C(CC1 O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C =CC2=C(CC(CC2(C)C)O)C)C)C; C[C@H]1C=C(/C =C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C( C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[ C@H]1O |
(1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol |
| 49183 |  ZEZ ZINC000013523718 |
2 | C10 H13 N5 O | InChI=1S/C10H13N5O/c1-7(4 -16)2-3-11-9-8-10(13-5-12 -8)15-6-14-9/h2,5-6,16H,3 -4H2,1H3,(H2,11,12,13,14, 15)/b7-2-; UZKQTCBAMSWPJD-UQCOIBPSSA-N |
CC(=CCNc1c2c([nH]cn2)ncn1)CO; n2c1c(ncn1 )c(nc2)NC/C=C(/C)CO; CC(CO)=CCNc1ncnc2[n H]cnc12; C\C(CO)=C\CNc1ncnc2[nH]cnc12; C /C(=C/CNc1c2c([nH]cn2)ncn1)/CO |
(2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol; CIS-ZEATIN |
| 49184 |  ZF0 CHEMBL274573 ZINC000002015949 |
0 | C8 H11 N | InChI=1S/C8H11N/c1-7-3-2- 4-8(5-7)6-9/h2-5H,6,9H2,1 H3; RGXUCUWVGKLACF-UHFFFAOYSA-N |
Cc1cccc(c1)CN; NCc1cccc(c1)C; Cc1cccc(CN )c1 |
1-(3-methylphenyl)methanamine |
| 49185 |  ZF1 CHEMBL8145 DB13182 ZINC000018847034 |
4 | C15 H10 O4 | InChI=1S/C15H10O4/c16-10- 3-1-9(2-4-10)13-8-19-14-7 -11(17)5-6-12(14)15(13)18 /h1-8,16-17H; ZQSIJRDFPHDXIC-UHFFFAOYSA-N |
c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O; O=C1c3c (OC=C1c2ccc(O)cc2)cc(O)cc3; Oc1ccc(cc1)C 2=COc3cc(O)ccc3C2=O |
7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one |
| 49186 |  ZF7 |
1 | C28 H31 F6 N O3 | InChI=1S/C28H31F6NO3/c1-1 5(35-20-7-8-21(35)13-18(1 2-20)26(36)37)17-3-2-16-4 -11-24(25(23(16)14-17)28( 32,33)34)38-22-9-5-19(6-1 0-22)27(29,30)31/h2-4,11, 14-15,18-22H,5-10,12-13H2 ,1H3,(H,36,37)/t15-,18-,1 9-,20+,21-,22+/m0/s1; PZASAAIJIFDWSB-CUWQMCGTSA-N |
CC(c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3) C(F)(F)F)N4C5CCC4CC(C5)C(=O)O; C[C@H](N1 [C@@H]2CC[C@H]1C[C@H](C2)C(O)=O)c3ccc4cc c(O[C@@H]5CC[C@@H](CC5)C(F)(F)F)c(c4c3)C (F)(F)F; FC(F)(F)C1CCC(CC1)Oc1ccc2ccc(cc 2c1C(F)(F)F)C(C)N1C2CC(CC1CC2)C(=O)O; C[ C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(C C3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O) O; C[CH](N1[CH]2CC[CH]1C[CH](C2)C(O)=O)c 3ccc4ccc(O[CH]5CC[CH](CC5)C(F)(F)F)c(c4c 3)C(F)(F)F |
(1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid; BIO-32546 |
| 49187 |  ZF9 |
4 | C10 H19 N5 O22 P6 | InChI=1S/C10H19N5O22P6/c1 1-8-5-9(13-2-12-8)15(3-14 -5)10-7(17)6(16)4(32-10)1 -31-39(21,22)34-41(25,26) 36-43(29,30)37-42(27,28)3 5-40(23,24)33-38(18,19)20 /h2-4,6-7,10,16-17H,1H2,( H,21,22)(H,23,24)(H,25,26 )(H,27,28)(H,29,30)(H2,11 ,12,13)(H2,18,19,20)/t4-, 6-,7-,10-/m1/s1; MCJDQUICRUJHMC-KQYNXXCUSA-N |
O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(= O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C( O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]( O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O [P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O; Nc 1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O) O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O) (=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; c1nc( c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O) (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([ C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O) (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N |
adenosine 5'-hexaphosphate |
| 49188 |  ZFB DB02766 ZINC000103562579 |
4 | C18 H18 N3 O3 | InChI=1S/C18H17N3O3/c19-2 0-12-17(22)16(11-14-7-3-1 -4-8-14)21-18(23)24-13-15 -9-5-2-6-10-15/h1-10,16H, 11-13H2/p+1/t16-/m1/s1; VLIGBVLLNSWVMI-MRXNPFEDSA-O |
c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2cccc c2; N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2cc ccc2; O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N) OCc2ccccc2; O=C(N[CH](Cc1ccccc1)C(=O)C[N +]#N)OCc2ccccc2; c1ccc(cc1)C[C@H](C(=O)C [N+]#N)NC(=O)OCc2ccccc2 |
(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM |
| 49189 |  ZFC CHEMBL444525 ZINC000001596062 |
10 | C11 H24 O | InChI=1S/C11H24O/c1-2-3-4 -5-6-7-8-9-10-11-12/h12H, 2-11H2,1H3; KJIOQYGWTQBHNH-UHFFFAOYSA-N |
OCCCCCCCCCCC; CCCCCCCCCCCO | undecan-1-ol |
| 49190 |  ZFG |
4 | C16 H19 N S | InChI=1S/C16H19NS/c1-5-12 (2)15-10-11-16(18-15)13-6 -8-14(9-7-13)17(3)4/h5-11 H,1-4H3/b12-5+; AMMZMSCAYJQWSM-LFYBBSHMSA-N |
C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C; CC=C( C)c1ccc(s1)c2ccc(cc2)N(C)C; C/C=C(\C)/c1 ccc(s1)c2ccc(cc2)N(C)C; C/C(=C\C)c1ccc(s 1)c1ccc(cc1)N(C)C; CC=C(C)c1sc(cc1)c2ccc (cc2)N(C)C |
4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline |
| 49191 |  ZFI ZINC000000346135 |
2 | C9 H11 N O3 S | InChI=1S/C9H11NO3S/c1-7(1 1)10-8-5-3-4-6-9(8)14(2,1 2)13/h3-6H,1-2H3,(H,10,11 ); NGWCPCSZLLJKPD-UHFFFAOYSA-N |
CC(=O)Nc1ccccc1S(=O)(=O)C; CC(=O)Nc1cccc c1[S](C)(=O)=O; O=S(C)(=O)c1ccccc1NC(C)= O |
N-[2-(methanesulfonyl)phenyl]acetamide |
| 49192 |  ZFJ |
20 | C22 H27 N | InChI=1S/C22H27N/c1-6-9-1 6-10-12-18-19-13-11-17(23 (7-2)8-3)15-21(19)22(4,5) 20(18)14-16/h6,9-15H,7-8H 2,1-5H3/b9-6+; UMARKYXLRJLTSK-RMKNXTFCSA-N |
CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1; CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1 ; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)( C)C; CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\ C=C\C; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/ C=C/C)(C)C |
(4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine |
| 49193 |  ZFP |
3 | C17 H19 N S | InChI=1S/C17H19NS/c1-3-13 (2)16-9-10-17(19-16)14-5- 7-15(8-6-14)18-11-4-12-18 /h3,5-10H,4,11-12H2,1-2H3 /b13-3+; UJDWZSVKXHLFTM-QLKAYGNNSA-N |
C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3; CC= C(C)c1sc(cc1)c2ccc(cc2)N3CCC3; CC=C(C)c1 ccc(s1)c2ccc(cc2)N3CCC3; C/C=C(C)/c1sc(c c1)c2ccc(cc2)N3CCC3; C/C(=C\C)c1ccc(s1)c 1ccc(cc1)N1CCC1 |
1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine |
| 49194 |  ZFR ZINC000584905723 |
6 | C17 H24 O4 | InChI=1S/C17H24O4/c1-13(1 8)6-5-9-15(19)8-4-2-3-7-1 4-10-16(20)12-17(21)11-14 /h3,7,10-13,18,20-21H,2,4 -6,8-9H2,1H3/b7-3+/t13-/m 0/s1; TVXRLKRGDWQGQV-MXPWBENCSA-N |
C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O ; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c 1; CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O; C[ CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1; c1c( O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O |
(1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one |
| 49195 |  ZFS CHEMBL1992306 ZINC000063298382 |
4 | C21 H17 F3 N4 O3 | InChI=1S/C21H17F3N4O3/c1- 25-19(29)18-12-17(9-10-26 -18)31-16-7-5-14(6-8-16)2 7-20(30)28-15-4-2-3-13(11 -15)21(22,23)24/h2-12H,1H 3,(H,25,29)(H2,27,28,30); WFTZMAAMCVPJJT-UHFFFAOYSA-N |
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc c(c3)C(F)(F)F; CNC(=O)c1cc(Oc2ccc(NC(=O) Nc3cccc(c3)C(F)(F)F)cc2)ccn1; O=C(NC)c1c c(Oc2ccc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2)c cn1 |
N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide |
| 49196 |  ZFW |
1 | C25 H34 Cl N5 O7 | InChI=1S/C25H34ClN5O7/c1- 11(2)37-17-9-14(12(3)8-16 (17)29-25-28-10-15(26)22( 27)30-25)13-4-6-31(7-5-13 )23-20(34)18(32)19(33)21( 38-23)24(35)36/h8-11,13,1 8-21,23,32-34H,4-7H2,1-3H 3,(H,35,36)(H3,27,28,29,3 0)/t18-,19-,20+,21-,23+/m 0/s1; SFTKCGCNKCPXPY-KHYDEXNFSA-N |
CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN (CC1)C1OC(C(O)C(O)C1O)C(=O)O; Cc1cc(c(cc 1C2CCN(CC2)C3C(C(C(C(O3)C(=O)O)O)O)O)OC( C)C)Nc4ncc(c(n4)N)Cl; Cc1cc(c(cc1C2CCN(C C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C( =O)O)O)O)O)OC(C)C)Nc4ncc(c(n4)N)Cl; CC(C )Oc1cc(C2CCN(CC2)[CH]3O[CH]([CH](O)[CH]( O)[CH]3O)C(O)=O)c(C)cc1Nc4ncc(Cl)c(N)n4; CC(C)Oc1cc(C2CCN(CC2)[C@@H]3O[C@@H]([C@ @H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)cc1Nc4n cc(Cl)c(N)n4 |
4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine |
| 49197 |  ZFY CHEMBL5283284 |
8 | C20 H19 F3 N6 O3 S2 | InChI=1S/C20H19F3N6O3S2/c 1-19(2,15-10-33-18(27-15) 29-34(31,32)12-4-5-12)17( 30)28-16-6-3-11(7-25-16)1 3-8-24-9-14(26-13)20(21,2 2)23/h3,6-10,12H,4-5H2,1- 2H3,(H,27,29)(H,25,28,30); CZIDGRDZSFIUHX-UHFFFAOYSA-N |
O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1 )c1cncc(n1)C(F)(F)F)C1CC1; CC(C)(c1csc(n 1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc (n4)C(F)(F)F; CC(C)(C(=O)Nc1ccc(cn1)c2cn cc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n 3 |
2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide |
| 49198 |  ZG0 CHEMBL1528164 ZINC000000153024 |
1 | C9 H11 N O | InChI=1S/C9H11NO/c1-7-4-3 -5-9(6-7)10-8(2)11/h3-6H, 1-2H3,(H,10,11); ALMHSXDYCFOZQD-UHFFFAOYSA-N |
CC(=O)Nc1cccc(C)c1; Cc1cccc(c1)NC(=O)C; O=C(C)Nc1cc(C)ccc1 |
N-(3-methylphenyl)acetamide |
| 49199 |  ZG1 ZINC000038906537 |
1 | C21 H27 N7 O3 | InChI=1S/C21H27N7O3/c1-2- 28-20-15(13-23-28)19(24-1 4-5-9-30-10-6-14)16(12-22 -20)21-25-17(26-31-21)11- 18(29)27-7-3-4-8-27/h12-1 4H,2-11H2,1H3,(H,22,24); WVSSDMGQAQMULY-UHFFFAOYSA-N |
CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCC C4)NC5CCOCC5; CCn1ncc2c(NC3CCOCC3)c(cnc1 2)c4onc(CC(=O)N5CCCC5)n4; O=C(N1CCCC1)Cc 2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC |
1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine |
| 49200 |  ZG2 ZINC000098209663 |
1 | C29 H34 N6 O3 | InChI=1S/C29H34N6O3/c1-2- 35-28-22(19-31-35)27(32-2 1-10-14-37-15-11-21)23(18 -30-28)29-33-24(17-26(36) 34-12-6-7-13-34)25(38-29) 16-20-8-4-3-5-9-20/h3-5,8 -9,18-19,21H,2,6-7,10-17H 2,1H3,(H,30,32); XOLUUYCIKUMYDW-UHFFFAOYSA-N |
O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(n c4)n(nc5)CC)NC6CCOCC6; CCn1c2c(cn1)c(c(c n2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6 CCOCC6; CCn1ncc2c(NC3CCOCC3)c(cnc12)c4oc (Cc5ccccc5)c(CC(=O)N6CCCC6)n4 |
5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine |