 | | 22D | | Name: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid | | Formula: | C14 H12 N6 O3 | | SMILES: | O=C(O)c1ccc(cc1)NCc3nc2c(N=C(N)NC2=O)nc3 | | InChi: | InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21) | | Definition date: | 2013-08-22 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid |
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 | | S3O | | Name: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide | | Formula: | C18 H21 N3 O | | SMILES: | C2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C | | InChi: | InChI=1S/C18H21N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4,6-7,10,19H,5,8-9H2,1-3H3,(H,20,21,22) | | Definition date: | 2019-10-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide |
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 | | JFX | | Name: | 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide | | Formula: | C12 H16 F N3 O2 S | | SMILES: | Cc2c1c(ccc(c1)NS(CCCCF)(=O)=O)nn2 | | InChi: | InChI=1S/C12H16FN3O2S/c1-9-11-8-10(4-5-12(11)15-14-9)16-19(17,18)7-3-2-6-13/h4-5,8,16H,2-3,6-7H2,1H3,(H,14,15) | | Definition date: | 2019-06-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-fluoro-N-(3-methyl-1H-indazol-5-yl)butane-1-sulfonamide |
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 | | KQ8 | | Name: | (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid | | Formula: | C15 H26 N4 O7 S2 | | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C15H26N4O7S2/c1-6-11(10(7(2)20)14(21)22)19-12(15(23)24)13(6)27-9-3-8(17-5-9)4-18-28(16,25)26/h6-11,17-20H,3-5H2,1-2H3,(H,21,22)(H,23,24)(H2,16,25,26)/t6-,7-,8+,9+,10-,11+/m1/s1 | | Definition date: | 2019-06-14 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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 | | JMK | | Name: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole | | Formula: | C20 H20 N4 S | | SMILES: | C1CN(CCN1Cc2c[nH]c3ccccc23)c4sc5ccccc5n4 | | InChi: | InChI=1S/C20H20N4S/c1-2-6-17-16(5-1)15(13-21-17)14-23-9-11-24(12-10-23)20-22-18-7-3-4-8-19(18)25-20/h1-8,13,21H,9-12,14H2 | | Definition date: | 2019-03-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 2-[4-(1~{H}-indol-3-ylmethyl)piperazin-1-yl]-1,3-benzothiazole |
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 | | JMN | | Name: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol | | Formula: | C16 H21 N O2 | | SMILES: | Cc1ccc(O[CH]2CCN(CC#C)C[CH]2O)cc1C | | InChi: | InChI=1S/C16H21NO2/c1-4-8-17-9-7-16(15(18)11-17)19-14-6-5-12(2)13(3)10-14/h1,5-6,10,15-16,18H,7-9,11H2,2-3H3/t15-,16-/m0/s1 | | Definition date: | 2019-03-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (3~{S},4~{S})-4-(3,4-dimethylphenoxy)-1-prop-2-ynyl-piperidin-3-ol |
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 | | JMT | | Name: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol | | Formula: | C20 H20 N4 O S | | SMILES: | Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccccc5n4)c2c1 | | InChi: | InChI=1S/C20H20N4OS/c25-15-5-6-17-16(11-15)14(12-21-17)13-23-7-9-24(10-8-23)20-22-18-3-1-2-4-19(18)26-20/h1-6,11-12,21,25H,7-10,13H2 | | Definition date: | 2019-03-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol |
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 | | JMW | | Name: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol | | Formula: | C20 H19 Cl N4 O S | | SMILES: | Oc1ccc2[nH]cc(CN3CCN(CC3)c4sc5ccc(Cl)cc5n4)c2c1 | | InChi: | InChI=1S/C20H19ClN4OS/c21-14-1-4-19-18(9-14)23-20(27-19)25-7-5-24(6-8-25)12-13-11-22-17-3-2-15(26)10-16(13)17/h1-4,9-11,22,26H,5-8,12H2 | | Definition date: | 2019-03-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 3-[[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methyl]-1~{H}-indol-5-ol |
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 | | JNE | | Name: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine | | Formula: | C13 H14 N2 | | SMILES: | Cc1cccc(NCc2ccccc2)n1 | | InChi: | InChI=1S/C13H14N2/c1-11-6-5-9-13(15-11)14-10-12-7-3-2-4-8-12/h2-9H,10H2,1H3,(H,14,15) | | Definition date: | 2019-03-13 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 6-methyl-~{N}-(phenylmethyl)pyridin-2-amine |
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 | | JQ2 | | Name: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C34 H38 N4 O6 | | SMILES: | CCC1=C(C)C2=CC3=NC(=Cc4[nH]c(C=C5NC(=O)C(=C5CC)C)c(C)c4CCC(O)=O)C(=C3CCN2C1=O)CCC(O)=O | | InChi: | InChI=1S/C34H38N4O6/c1-6-20-19(5)33(43)37-26(20)14-25-17(3)22(8-10-31(39)40)27(35-25)15-28-23(9-11-32(41)42)24-12-13-38-30(16-29(24)36-28)18(4)21(7-2)34(38)44/h14-16,35H,6-13H2,1-5H3,(H,37,43)(H,39,40)(H,41,42)/b26-14-,28-15- | | Definition date: | 2019-03-15 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3,7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | L7N | | Name: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium | | Formula: | C11 H15 N3 O7 P | | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=[NH+][CH]2CONC2=O)c1O | | InChi: | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2-3,9,15H,4-5H2,1H3,(H,14,16)(H2,17,18,19)/p+1/b13-3+/t9-/m1/s1 | | Definition date: | 2019-07-26 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium |
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 | | LHT | | Name: | hydrolysed ertapenem | | Formula: | C22 H27 N3 O8 S | | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)Nc3cccc(c3)C(O)=O)[CH]1C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C22H27N3O8S/c1-9-16(15(10(2)26)21(30)31)25-17(22(32)33)18(9)34-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,23,25-26H,7-8H2,1-2H3,(H,24,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10-,13+,14+,15-,16-/m1/s1 | | Definition date: | 2019-08-19 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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 | | LN8 | | Name: | Kiteplatin | | Formula: | C6 H14 Cl2 N2 Pt | | SMILES: | NC1CCC(N)CC1.Cl[Pt]Cl | | InChi: | InChI=1S/C6H14N2.2ClH.Pt/c7-5-1-2-6(8)4-3-5 | | Definition date: | 2019-08-28 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 3,3-bis(chloranyl)-2,4-diazonia-3$l^{4}-platinabicyclo[3.2.2]nonane |
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 | | LSY | | Name: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide | | Formula: | C6 H14 N4 O2 | | SMILES: | CN(C)C(NNC(=O)N(C)C)=O | | InChi: | InChI=1S/C6H14N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3,(H,7,11)(H,8,12) | | Definition date: | 2019-03-13 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N~1~,N~1~,N~2~,N~2~-tetramethylhydrazine-1,2-dicarboxamide |
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 | | LW5 | | Name: | 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide | | Formula: | C23 H27 F N2 O4 | | SMILES: | C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC[CH](O)CC2)c3ccccc3 | | InChi: | InChI=1S/C23H27FN2O4/c1-14(16-6-4-3-5-7-16)30-21-13-17(12-20(24)22(21)25-15(2)27)23(29)26-18-8-10-19(28)11-9-18/h3-7,12-14,18-19,28H,8-11H2,1-2H3,(H,25,27)(H,26,29)/t14-,18-,19-/m0/s1 | | Definition date: | 2019-09-23 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide |
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 | | LWB | | Name: | 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole | | Formula: | C30 H33 N5 O3 | | SMILES: | COCc1nc2cnc3cc(c(OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c(C)onc6C | | InChi: | InChI=1S/C30H33N5O3/c1-18-29(20(3)38-34-18)24-12-25-23(13-27(24)37-16-21-10-11-31-14-21)30-26(15-32-25)33-28(17-36-4)35(30)19(2)22-8-6-5-7-9-22/h5-9,12-13,15,19,21,31H,10-11,14,16-17H2,1-4H3/t19-,21+/m1/s1 | | Definition date: | 2019-09-23 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole |
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 | | M7V | | Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid | | Formula: | C10 H17 N O4 | | SMILES: | CCCCC1(C(C(C(O)=O)N)C1)C(O)=O | | InChi: | InChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1 | | Definition date: | 2019-03-27 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid |
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 | | M7Y | | Name: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide | | Formula: | C19 H25 N3 O3 | | SMILES: | c1(c([C@H]=CC(=O)NO)cccc1)N3C(CN(C2CCCC2)C3=O)(C)C | | InChi: | InChI=1S/C19H25N3O3/c1-19(2)13-21(15-8-4-5-9-15)18(24)22(19)16-10-6-3-7-14(16)11-12-17(23)20-25/h3,6-7,10-12,15,25H,4-5,8-9,13H2,1-2H3,(H,20,23)/b12-11+ | | Definition date: | 2019-03-27 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide |
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 | | M8G | | Name: | N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide | | Formula: | C22 H18 N2 O4 | | SMILES: | c1cc(ccc1)Oc2ccccc2C(Nc3ccccc3C=CC(=O)NO)=O | | InChi: | InChI=1S/C22H18N2O4/c25-21(24-27)15-14-16-8-4-6-12-19(16)23-22(26)18-11-5-7-13-20(18)28-17-9-2-1-3-10-17/h1-15,27H,(H,23,26)(H,24,25)/b15-14+ | | Definition date: | 2019-03-27 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide |
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 | | N18 | | Name: | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate | | Formula: | C9 H11 N3 O5 | | SMILES: | N(CCC(OC)=O)C(C=1NC(=O)NC(C=1)=O)=O | | InChi: | InChI=1S/C9H11N3O5/c1-17-7(14)2-3-10-8(15)5-4-6(13)12-9(16)11-5/h4H,2-3H2,1H3,(H,10,15)(H2,11,12,13,16) | | Definition date: | 2019-07-23 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate |
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 | | N5H | | Name: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid | | Formula: | C30 H48 N2 O7 | | SMILES: | C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O | | InChi: | InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7+,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1 | | Definition date: | 2019-11-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | (2~{E},5~{R},10~{E},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid |
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 | | NB7 | | Name: | N'-[(2-fluorophenyl)sulfonyl]benzohydrazide | | Formula: | C13 H11 F N2 O3 S | | SMILES: | c1(ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F | | InChi: | InChI=1S/C13H11FN2O3S/c14-11-8-4-5-9-12(11)20(18,19)16-15-13(17)10-6-2-1-3-7-10/h1-9,16H,(H,15,17) | | Definition date: | 2019-05-10 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N'-[(2-fluorophenyl)sulfonyl]benzohydrazide |
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 | | NBJ | | Name: | N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide | | Formula: | C13 H10 F I N2 O3 S | | SMILES: | C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)=O | | InChi: | InChI=1S/C13H10FIN2O3S/c14-11-6-1-2-7-12(11)21(19,20)17-16-13(18)9-4-3-5-10(15)8-9/h1-8,17H,(H,16,18) | | Definition date: | 2019-05-10 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide |
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 | | 8JF | | Name: | N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide | | Formula: | C18 H17 N3 O | | SMILES: | c2cnc1cc(NC(=O)C)nc(c1c2)c3c(C)c(C)ccc3 | | InChi: | InChI=1S/C18H17N3O/c1-11-6-4-7-14(12(11)2)18-15-8-5-9-19-16(15)10-17(21-18)20-13(3)22/h4-10H,1-3H3,(H,20,21,22) | | Definition date: | 2019-10-25 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide |
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 | | O6G | | Name: | N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide | | Formula: | C14 H17 N3 O2 S | | SMILES: | c2(cc1c(C)c(C#N)nc1cc2)NS(CCCC)(=O)=O | | InChi: | InChI=1S/C14H17N3O2S/c1-3-4-7-20(18,19)17-11-5-6-13-12(8-11)10(2)14(9-15)16-13/h5-6,8,16-17H,3-4,7H2,1-2H3 | | Definition date: | 2019-06-12 | | Last modified: | 2020-03-27 | | Release date: | 2020-04-01 | | Identifier: | N-(2-cyano-3-methyl-1H-indol-5-yl)butane-1-sulfonamide |
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