 | | GEQ | | Name: | 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE | | Formula: | C26 H23 N3 O | | SMILES: | O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6 | | InChi: | InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2 | | Synonyms: | GENZ-10850 | | Definition date: | 2003-08-30 | | Last modified: | 2021-03-01 | | Identifier: | 5-{[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonyl}-1H-indole |
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 | | IXM | | Name: | (Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME | | Formula: | C16 H11 N3 O2 | | SMILES: | O=C2C(c1ccccc1N2)=C4C(=NO)c3ccccc3N4 | | InChi: | InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17,21H,(H,18,20)/b15-13-,19-14+ | | Synonyms: | INDIRUBIN-3'-MONOXIME | | Definition date: | 2003-08-06 | | Last modified: | 2021-03-01 | | Identifier: | (2Z,3E)-2,3'-biindole-2',3(1H,1'H)-dione 3-oxime |
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 | | IXO | | Name: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium | | Formula: | C10 H17 N2 O2 | | SMILES: | C(#CCOC1=NOCC1)C[N+](C)(C)C | | InChi: | InChI=1S/C10H17N2O2/c1-12(2,3)7-4-5-8-13-10-6-9-14-11-10/h6-9H2,1-3H3/q+1 | | Synonyms: | Iperoxo | | Definition date: | 2013-09-20 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-27 | | Identifier: | 4-(4,5-dihydro-1,2-oxazol-3-yloxy)-N,N,N-trimethylbut-2-yn-1-aminium |
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 | | WJP | | Name: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate | | Formula: | C26 H48 O7 P2 | | SMILES: | CC(CC[C@H]=C(CCC=C(/C)CCC=C(CC[C@H]=C(C)C)C)C)CCOP(=O)(O)OP(OC)(=O)O | | InChi: | InChI=1S/C26H48O7P2/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25(5)18-11-19-26(6)20-21-32-35(29,30)33-34(27,28)31-7/h12,14,16,18,26H,8-11,13,15,17,19-21H2,1-7H3,(H,27,28)(H,29,30)/b23-14+,24-16+,25-18-/t26-/m1/s1 | | Synonyms: | dolichol-pp | | Definition date: | 2020-10-30 | | Last modified: | 2021-03-01 | | Release date: | 2020-11-11 | | Identifier: | methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yl dihydrogen diphosphate |
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 | | IYZ | | Name: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE | | Formula: | C18 H18 N4 O | | SMILES: | O=C(c4cccc(c1cnc2ccc(nn12)NCC3CC3)c4)C | | InChi: | InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21) | | Synonyms: | IMIDAZOPYRIDAZIN 1 | | Definition date: | 2005-10-07 | | Last modified: | 2021-03-01 | | Identifier: | 1-(3-{6-[(cyclopropylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}phenyl)ethanone |
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 | | WJZ | | Name: | TIOPRONIN | | Formula: | C5 H9 N O3 S | | SMILES: | C[CH](S)C(=O)NCC(O)=O | | InChi: | InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)/t3-/m0/s1 | | Synonyms: | THIOLA | | Definition date: | 2015-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2015-07-07 | | Identifier: | 2-[[(2S)-2-sulfanylpropanoyl]amino]ethanoic acid |
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 | | IZC | | Name: | 2H-IMIDAZOL-4-YLACETIC ACID | | Formula: | C5 H6 N2 O2 | | SMILES: | O=C(O)CC1=NCN=C1 | | InChi: | InChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9) | | Synonyms: | IMIDAZOLE-4-ACETIC ACID | | Definition date: | 2006-02-22 | | Last modified: | 2021-03-01 | | Identifier: | 2H-imidazol-4-ylacetic acid |
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 | | IZP | | Name: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid | | Formula: | C13 H18 O2 | | SMILES: | O=C(O)C(c1ccc(cc1)CC(C)C)C | | InChi: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1 | | Synonyms: | (R)-Ibuprofen | | Definition date: | 2010-11-15 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
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 | | WM2 | | Name: | cyclohexanecarboxamide | | Formula: | C7 H13 N O | | SMILES: | O=C(N)C1CCCCC1 | | InChi: | InChI=1S/C7H13NO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H2,8,9) | | Synonyms: | Hexahydrobenzamide | | Definition date: | 2013-10-16 | | Last modified: | 2021-03-01 | | Release date: | 2015-08-12 | | Identifier: | cyclohexanecarboxamide |
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 | | J2A | | Name: | (2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-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 | | Formula: | C20 H24 N10 O11 P2 S2 | | SMILES: | C54C(COP(OC1C(O)C(OC1n3c2c(C(N=C(N2)N)=O)nc3)COP(O4)(=O)S)(=O)S)OC(C5O)n6c7c(nc6)c(ncn7)N | | InChi: | InChI=1S/C20H24N10O11P2S2/c21-14-8-15(24-3-23-14)29(4-25-8)18-11(32)12-7(39-18)2-37-43(35,45)41-13-10(31)6(1-36-42(34,44)40-12)38-19(13)30-5-26-9-16(30)27-20(22)28-17(9)33/h3-7,10-13,18-19,31-32H,1-2H2,(H,34,44)(H,35,45)(H2,21,23,24)(H3,22,27,28,33)/t6-,7-,10-,11-,12-,13-,18-,19-,42+,43-/m1/s1 | | Synonyms: | nonhydrolyzable phosphorothioate analog of 2'3' cyclic GMP-AMP | | Definition date: | 2018-08-03 | | Last modified: | 2021-03-01 | | Release date: | 2019-02-06 | | Identifier: | (2S,5R,7R,8R,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-dihydroxy-2,10-disulfanyloctahydro-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 |
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 | | WPC | | Name: | [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron | | Formula: | C32 H16 Fe N8 | | SMILES: | N1=C5c%12c(C=4N=C8c%11ccccc%11C7=NC%10=[N+]6C(=Nc3n(c1c2ccccc23)[Fe]6([N+]=45)N78)c9ccccc9%10)cccc%12 | | InChi: | InChI=1S/C32H16N8.Fe/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25 | | Synonyms: | Phthalocyanine containing Fe | | Definition date: | 2013-03-27 | | Last modified: | 2021-03-01 | | Release date: | 2014-01-29 | | Identifier: | [29H,31H-phthalocyaninato(2-)-kappa~4~N~29~,N~30~,N~31~,N~32~]iron(2+) |
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 | | J3Z | | Name: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one | | Formula: | C18 H22 O2 | | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CCC2=O | | InChi: | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | | Synonyms: | Estrone | | Definition date: | 2009-07-07 | | Last modified: | 2021-03-01 | | Identifier: | (8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
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 | | J43 | | Name: | 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide | | Formula: | C12 H11 Cl N4 O3 S2 | | SMILES: | O=S(=O)(N)c2ccc(Nc1nc(SC)nc(Cl)c1C=O)cc2 | | InChi: | InChI=1S/C12H11ClN4O3S2/c1-21-12-16-10(13)9(6-18)11(17-12)15-7-2-4-8(5-3-7)22(14,19)20/h2-6H,1H3,(H2,14,19,20)(H,15,16,17) | | Synonyms: | 4-[N-(6-chloro-5-formyl-2-methylthiopyrimidin-4-yl)amino]benzenesulfonamide | | Definition date: | 2010-04-22 | | Last modified: | 2021-03-01 | | Identifier: | 4-{[6-chloro-5-formyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzenesulfonamide |
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 | | WR7 | | Name: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate | | Formula: | C13 H14 Cl3 N7 O4 | | SMILES: | ClC(Cl)(Cl)C(Nc1ncccn1)NC(=O)OCCn2c(cnc2C)[N+]([O-])=O | | InChi: | InChI=1S/C13H14Cl3N7O4/c1-8-19-7-9(23(25)26)22(8)5-6-27-12(24)21-10(13(14,15)16)20-11-17-3-2-4-18-11/h2-4,7,10H,5-6H2,1H3,(H,21,24)(H,17,18,20)/t10-/m1/s1 | | Synonyms: | apcin | | Definition date: | 2013-10-22 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-20 | | Identifier: | 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl [(1R)-2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate |
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 | | J5K | | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide | | Formula: | C20 H25 N5 O2 | | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3ccc(N)nc3 | | InChi: | InChI=1S/C20H25N5O2/c21-16(11-14-5-2-1-3-6-14)20(27)25-10-4-7-17(25)19(26)24-13-15-8-9-18(22)23-12-15/h1-3,5-6,8-9,12,16-17H,4,7,10-11,13,21H2,(H2,22,23)(H,24,26)/t16-,17+/m1/s1 | | Synonyms: | D-Phe-Pro-p-aminopyridine | | Definition date: | 2019-01-31 | | Last modified: | 2021-03-01 | | Release date: | 2020-02-19 | | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(6-azanylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide |
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 | | WSK | | Name: | (2S)-1-(3,6-DIBROMO-9H-CARBAZOL-9-YL)-3-(DIMETHYLAMINO)PROPAN-2-OL | | Formula: | C17 H18 Br2 N2 O | | SMILES: | Brc3cc2c1cc(Br)ccc1n(c2cc3)CC(O)CN(C)C | | InChi: | InChI=1S/C17H18Br2N2O/c1-20(2)9-13(22)10-21-16-5-3-11(18)7-14(16)15-8-12(19)4-6-17(15)21/h3-8,13,22H,9-10H2,1-2H3/t13-/m0/s1 | | Synonyms: | (S)-WISKOSTATIN | | Definition date: | 2004-06-01 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-1-(3,6-dibromo-9H-carbazol-9-yl)-3-(dimethylamino)propan-2-ol |
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 | | J75 | | Name: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide | | Formula: | C18 H18 N6 O4 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)CNc3ncnc(NCc2ccccc2)c3[N+]([O-])=O | | InChi: | InChI=1S/C18H18N6O4S/c19-29(27,28)15-8-6-14(7-9-15)11-21-18-16(24(25)26)17(22-12-23-18)20-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H2,19,27,28)(H2,20,21,22,23) | | Synonyms: | 4-{[N-(6-benzylamino-5-nitropyrimidin-4-yl)amino]methyl}benzenesulfonamide | | Definition date: | 2010-04-22 | | Last modified: | 2021-03-01 | | Identifier: | 4-({[6-(benzylamino)-5-nitropyrimidin-4-yl]amino}methyl)benzenesulfonamide |
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 | | J77 | | Name: | (METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE | | Formula: | C21 H27 N3 O3 | | SMILES: | O=C(OCC)c3ccc(OCCC2CCN(c1nnc(cc1)C)CC2)cc3 | | InChi: | InChI=1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3 | | Synonyms: | R77975 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | ethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoate |
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 | | J80 | | Name: | (METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATE | | Formula: | C23 H31 N3 O3 | | SMILES: | O=C(OCC)c3ccc(OCCCCC2CCN(c1nnc(cc1)C)CC2)cc3 | | InChi: | InChI=1S/C23H31N3O3/c1-3-28-23(27)20-8-10-21(11-9-20)29-17-5-4-6-19-13-15-26(16-14-19)22-12-7-18(2)24-25-22/h7-12,19H,3-6,13-17H2,1-2H3 | | Synonyms: | R80633 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate |
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 | | J8D | | Name: | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one | | Formula: | C16 H12 O6 | | SMILES: | COc1c(O)cc(cc1)C=3Oc2cc(O)cc(c2C(C=3)=O)O | | InChi: | InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3 | | Synonyms: | diosmetin | | Definition date: | 2018-08-22 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-23 | | Identifier: | 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one |
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 | | WUL | | Name: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE | | Formula: | C15 H14 Br N3 O3 | | SMILES: | Brc4cc3c(oc1c3N=C(NC1=O)CN2CCC(O)C2)cc4 | | InChi: | InChI=1S/C15H14BrN3O3/c16-8-1-2-11-10(5-8)13-14(22-11)15(21)18-12(17-13)7-19-4-3-9(20)6-19/h1-2,5,9,20H,3-4,6-7H2,(H,17,18,21)/t9-/m0/s1 | | Synonyms: | (S)-8-BROMO-2-((3-HYDROXYPYRROLIDIN-1-YL)METHYL) | | Definition date: | 2012-03-20 | | Last modified: | 2021-03-01 | | Identifier: | 8-bromo-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one |
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 | | J8G | | Name: | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one | | Formula: | C16 H12 O7 | | SMILES: | c3c(c2C(C(=C(c1cc(c(O)cc1)O)Oc2cc3OC)O)=O)O | | InChi: | InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3 | | Synonyms: | rhamnetin | | Definition date: | 2018-08-22 | | Last modified: | 2021-03-01 | | Release date: | 2019-01-23 | | Identifier: | 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one |
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 | | WW2 | | Name: | cyclohexyl (S)-methylphosphonofluoridoate | | Formula: | C7 H14 F O2 P | | SMILES: | O=P(F)(OC1CCCCC1)C | | InChi: | InChI=1S/C7H14FO2P/c1-11(8,9)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3/t11-/m0/s1 | | Synonyms: | Cyclosarin | | Definition date: | 2009-10-22 | | Last modified: | 2021-03-01 | | Identifier: | cyclohexyl (S)-methylphosphonofluoridate |
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 | | L04 | | Name: | 6-(4'-FLUORO-BIPHENYL-4-YL)-4-(3-METHYL-1-PHENYLCARBAMOYL-BUTYLCARBAMOYL)-2-[4-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-BUTYL]-HEXANOIC ACID | | Formula: | C43 H48 F N3 O5 | | SMILES: | O=C(Nc1ccccc1)C(NC(=O)C(CCc3ccc(c2ccc(F)cc2)cc3)CC(C(=O)O)CCCCN5C(=O)c4ccccc4C5)CC(C)C | | InChi: | InChI=1S/C43H48FN3O5/c1-29(2)26-39(41(49)45-37-12-4-3-5-13-37)46-40(48)33(20-17-30-15-18-31(19-16-30)32-21-23-36(44)24-22-32)27-34(43(51)52)10-8-9-25-47-28-35-11-6-7-14-38(35)42(47)50/h3-7,11-16,18-19,21-24,29,33-34,39H,8-10,17,20,25-28H2,1-2H3,(H,45,49)(H,46,48)(H,51,52)/t33-,34+,39+/m1/s1 | | Synonyms: | L004 | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (2S,4R)-6-(4'-fluorobiphenyl-4-yl)-4-{[(1S)-3-methyl-1-(phenylcarbamoyl)butyl]carbamoyl}-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butyl]hexanoic acid |
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 | | WZC | | Name: | (13ALPHA,14BETA,17ALPHA)-3-HYDROXY-2-METHOXYESTRA-1,3,5(10)-TRIEN-17-YL SULFAMATE | | Formula: | C19 H27 N O5 S | | SMILES: | O=S(=O)(OC4CCC3C2C(c1cc(OC)c(O)cc1CC2)CCC34C)N | | InChi: | InChI=1S/C19H27NO5S/c1-19-8-7-12-13(15(19)5-6-18(19)25-26(20,22)23)4-3-11-9-16(21)17(24-2)10-14(11)12/h9-10,12-13,15,18,21H,3-8H2,1-2H3,(H2,20,22,23)/t12-,13+,15-,18-,19-/m0/s1 | | Synonyms: | 2-METHOXYESTRADIOL 17-O-SULFAMATE | | Definition date: | 2009-11-23 | | Last modified: | 2021-03-01 | | Identifier: | (13alpha,14beta,17alpha)-3-hydroxy-2-methoxyestra-1,3,5(10)-trien-17-yl sulfamate |
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