 | | IPA | | Name: | ISOPROPYL ALCOHOL | | Formula: | C3 H8 O | | SMILES: | OC(C)C | | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | | Synonyms: | 2-PROPANOL | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | propan-2-ol |
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 | | 5VQ | | Name: | 2-Propen-1-ol | | Formula: | C3 H6 O | | SMILES: | OCC=C | | InChi: | InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2 | | Synonyms: | allyl alcohol | | Definition date: | 2015-12-11 | | Last modified: | 2021-03-01 | | Release date: | 2016-04-06 | | Identifier: | prop-2-en-1-ol |
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 | | VOM | | Name: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide | | Formula: | C21 H18 F N5 O2 | | SMILES: | c1c(c(ccc1F)n2nccc2)C(Oc4c(nc3c(cc(cc3)C(N)=O)c4)N)C | | InChi: | InChI=1S/C21H18FN5O2/c1-12(16-11-15(22)4-6-18(16)27-8-2-7-25-27)29-19-10-14-9-13(21(24)28)3-5-17(14)26-20(19)23/h2-12H,1H3,(H2,23,26)(H2,24,28)/t12-/m0/s1 | | Definition date: | 2020-08-31 | | Last modified: | 2021-01-08 | | Release date: | 2021-01-13 | | Identifier: | 2-amino-3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}quinoline-6-carboxamide |
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 | | V8G | | Name: | trans-4-butylcyclohexane-1-carboxylic acid | | Formula: | C11 H20 O2 | | SMILES: | C1C(C(=O)O)CCC(C1)CCCC | | InChi: | InChI=1S/C11H20O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h9-10H,2-8H2,1H3,(H,12,13)/t9-,10- | | Definition date: | 2020-07-16 | | Last modified: | 2020-12-25 | | Release date: | 2020-12-30 | | Identifier: | trans-4-butylcyclohexane-1-carboxylic acid |
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 | | WRB | | Name: | 1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE | | Formula: | C14 H20 Br N5 O2 | | SMILES: | Brc2ccc(OCCCON1C(=NC(=NC1(C)C)N)N)cc2 | | InChi: | InChI=1S/C14H20BrN5O2/c1-14(2)19-12(16)18-13(17)20(14)22-9-3-8-21-11-6-4-10(15)5-7-11/h4-7H,3,8-9H2,1-2H3,(H4,16,17,18,19) | | Synonyms: | BROMO-WR99210 | | Definition date: | 1999-11-29 | | Last modified: | 2020-06-17 | | Identifier: | 1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine |
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 | | TBU | | Name: | TERTIARY-BUTYL ALCOHOL | | Formula: | C4 H10 O | | SMILES: | OC(C)(C)C | | InChi: | InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3 | | Synonyms: | 2-METHYL-2-PROPANOL | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-methylpropan-2-ol |
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 | | NPS | | Name: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | | Formula: | C14 H14 O3 | | SMILES: | O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C | | InChi: | InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | | Synonyms: | NAPROXEN | | Definition date: | 2007-10-04 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid |
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 | | EDS | | Name: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y
l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide | | Formula: | C25 H48 N6 O10 | | SMILES: | C1(C(NC(=O)C(CCN)O)CC(C(C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(O)(CO3)C)O | | InChi: | InChI=1S/C25H48N6O10/c1-25(37)11-38-24(18(35)21(25)29-2)41-20-15(31-22(36)16(33)5-6-26)9-14(28)19(17(20)34)40-23-13(27)4-3-12(39-23)10-30-7-8-32/h3,13-21,23-24,29-30,32-35,37H,4-11,26-28H2,1-2H3,(H,31,36)/t13-,14+,15-,16+,17+,18-,19-,20+,21-,23-,24-,25+/m1/s1 | | Synonyms: | plazomicin | | Definition date: | 2018-01-02 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-31 | | Identifier: | (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide |
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 | | 83H | | Name: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one | | Formula: | C21 H24 N4 O | | SMILES: | O=C3N(c2cc1c5c(nc1cc2C3(C)C)c4nnc(c4CCC5)C)CC | | InChi: | InChI=1S/C21H24N4O/c1-5-25-17-9-14-13-8-6-7-12-11(2)23-24-19(12)18(13)22-16(14)10-15(17)21(3,4)20(25)26/h9-10,22H,5-8H2,1-4H3,(H,23,24) | | Synonyms: | 8-Ethyl-2,5,6,12-tetrahydro-3,10,10-trimethyl-9-oxo-pyrazolo[4'3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indole | | Definition date: | 2008-04-02 | | Last modified: | 2020-06-17 | | Identifier: | 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one |
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 | | 24B | | Name: | (2,4-DIFLUOROPHENYL)METHANOL | | Formula: | C7 H6 F2 O | | SMILES: | Fc1cc(F)ccc1CO | | InChi: | InChI=1S/C7H6F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 | | Synonyms: | 2,4-DIFLUOROBENZYL ALCOHOL 2,4-DIFLUORO-1-(HYDROXYMETHYL)BENZENE | | Definition date: | 2003-09-11 | | Last modified: | 2020-06-17 | | Identifier: | (2,4-difluorophenyl)methanol |
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 | | UX9 | | Name: | methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Formula: | C42 H49 N5 O6 | | SMILES: | O=C(OC)NC(C(=O)NN(Cc2ccc(c1ccncc1)cc2)CCC5(C(=O)N(C4c3c(cccc3)CC4O)CC5O)Cc6ccccc6)C(C)(C)C | | InChi: | InChI=1S/C42H49N5O6/c1-41(2,3)37(44-40(52)53-4)38(50)45-46(26-29-14-16-30(17-15-29)31-18-21-43-22-19-31)23-20-42(25-28-10-6-5-7-11-28)35(49)27-47(39(42)51)36-33-13-9-8-12-32(33)24-34(36)48/h5-19,21-22,34-37,48-49H,20,23-27H2,1-4H3,(H,44,52)(H,45,50)/t34-,35-,36+,37-,42+/m1/s1 | | Definition date: | 2011-10-20 | | Last modified: | 2020-05-30 | | Release date: | 2012-11-02 | | Identifier: | methyl [(1S)-1-{[2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-(4-pyridin-4-ylbenzyl)hydrazino]carbonyl}-2,2-dimethylpropyl]carbamate (non-preferred name) |
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 | | 55B | | Name: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol | | Formula: | C11 H14 O4 | | SMILES: | COc1cc(cc(c1O)OC)C=CCO | | InChi: | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ | | Synonyms: | Sinapyl alcohol | | Definition date: | 2015-07-27 | | Last modified: | 2020-05-26 | | Release date: | 2015-09-16 | | Identifier: | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
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 | | SFH | | Name: | 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine | | Formula: | C16 H17 N7 O7 S | | SMILES: | C3(n1c2c(nc1)c(N)ncn2)OC(C(C3O)O)COS(NC(c4cnccc4)=O)(=O)=O | | InChi: | InChI=1S/C16H17N7O7S/c17-13-10-14(20-6-19-13)23(7-21-10)16-12(25)11(24)9(30-16)5-29-31(27,28)22-15(26)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t9-,11-,12-,16-/m1/s1 | | Definition date: | 2019-10-09 | | Last modified: | 2020-01-03 | | Release date: | 2020-01-08 | | Identifier: | 5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine |
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 | | NUJ | | Name: | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol | | Formula: | C11 H17 N3 O | | SMILES: | N(c1nc(C)nc(c1)C)(C)C2CC(C2)O | | InChi: | InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10- | | Definition date: | 2019-05-28 | | Last modified: | 2019-08-02 | | Release date: | 2019-08-07 | | Identifier: | trans-3-[(2,6-dimethylpyrimidin-4-yl)(methyl)amino]cyclobutan-1-ol |
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 | | K34 | | Name: | 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole | | Formula: | C5 H4 N4 S | | SMILES: | n1c(ncn1)c2nccs2 | | InChi: | InChI=1S/C5H4N4S/c1-2-10-5(6-1)4-7-3-8-9-4/h1-3H,(H,7,8,9) | | Definition date: | 2018-10-25 | | Last modified: | 2018-12-14 | | Release date: | 2018-12-19 | | Identifier: | 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole |
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 | | VOH | | Name: | Veratryl alcohol | | Formula: | C9 H12 O3 | | SMILES: | COc1ccc(CO)cc1OC | | InChi: | InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3 | | Definition date: | 2017-09-27 | | Last modified: | 2018-12-07 | | Release date: | 2018-12-12 | | Identifier: | (3,4-dimethoxyphenyl)methanol |
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 | | A3R | | Name: | Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol | | Formula: | C15 H24 N6 O11 P2 | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4C[CH](O)CN4)[CH](O)[CH]3O | | InChi: | InChI=1S/C15H24N6O11P2/c16-13-10-14(19-5-18-13)21(6-20-10)15-12(24)11(23)9(31-15)4-30-34(27,28)32-33(25,26)29-3-7-1-8(22)2-17-7/h5-9,11-12,15,17,22-24H,1-4H2,(H,25,26)(H,27,28)(H2,16,18,19)/t7-,8+,9+,11+,12+,15+/m0/s1 | | Definition date: | 2018-03-23 | | Last modified: | 2018-11-23 | | Release date: | 2018-11-28 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},4~{R})-4-oxidanylpyrrolidin-2-yl]methyl hydrogen phosphate |
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 | | 7L1 | | Name: | S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate | | Formula: | C23 H38 N7 O17 P3 S | | SMILES: | C(COP(OP(OCC1C(O)C(C(O1)n2cnc3c2ncnc3N)OP(O)(O)=O)(O)=O)(O)=O)(C)(C)C(C(=O)NCCC(NCCSC(C)=O)=O)O | | InChi: | InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-16(33)17(46-48(36,37)38)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1 | | Definition date: | 2016-11-07 | | Last modified: | 2018-07-27 | | Release date: | 2018-08-01 | | Identifier: | S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate |
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 | | EQG | | Name: | benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate | | Formula: | C37 H55 N7 O7 | | SMILES: | C(NC(CCON/C(N)=N)C(NC(C(NC(C(O)CC(NCCc1ccccc1)=O)CC(C)C)=O)C2CCCCC2)=O)(OCc3ccccc3)=O | | InChi: | InChI=1S/C37H55N7O7/c1-25(2)22-30(31(45)23-32(46)40-20-18-26-12-6-3-7-13-26)41-35(48)33(28-16-10-5-11-17-28)43-34(47)29(19-21-51-44-36(38)39)42-37(49)50-24-27-14-8-4-9-15-27/h3-4,6-9,12-15,25,28-31,33,45H,5,10-11,16-24H2,1-2H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)(H4,38,39,44)/t29-,30-,31-,33-/m0/s1 | | Definition date: | 2018-01-26 | | Last modified: | 2018-06-08 | | Release date: | 2018-06-13 | | Identifier: | benzyl [(6S,7S,10S,13S,18Z)-18-amino-10-cyclohexyl-6-hydroxy-18-imino-7-(2-methylpropyl)-4,9,12-trioxo-1-phenyl-16-oxa-3,8,11,17-tetraazaoctadecan-13-yl]carbamate |
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 | | EZN | | Name: | [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine | | Formula: | C15 H13 Cl N2 | | SMILES: | NCc1cc(Cl)cc(c1)c2cccc3[nH]ccc23 | | InChi: | InChI=1S/C15H13ClN2/c16-12-7-10(9-17)6-11(8-12)13-2-1-3-15-14(13)4-5-18-15/h1-8,18H,9,17H2 | | Definition date: | 2018-05-11 | | Last modified: | 2018-05-18 | | Release date: | 2018-05-23 | | Identifier: | [3-chloranyl-5-(1~{H}-indol-4-yl)phenyl]methanamine |
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 | | 7XR | | Name: | 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine | | Formula: | C27 H32 N8 | | SMILES: | CN1CCN(CC1)c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C6CCCC6)c4n3)cc2 | | InChi: | InChI=1S/C27H32N8/c1-33-15-17-34(18-16-33)22-13-11-21(12-14-22)29-26-28-19-24-25(32-26)35(23-9-5-6-10-23)27(31-24)30-20-7-3-2-4-8-20/h2-4,7-8,11-14,19,23H,5-6,9-10,15-18H2,1H3,(H,30,31)(H,28,29,32) | | Definition date: | 2017-02-06 | | Last modified: | 2018-02-02 | | Release date: | 2018-02-07 | | Identifier: | 9-cyclopentyl-~{N}2-[4-(4-methylpiperazin-1-yl)phenyl]-~{N}8-phenyl-purine-2,8-diamine |
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 | | AO4 | | Name: | 2-chloropyridine-4-carboxylic acid | | Formula: | C6 H4 Cl N O2 | | SMILES: | C(c1ccnc(c1)Cl)(O)=O | | InChi: | InChI=1S/C6H4ClNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10) | | Definition date: | 2017-07-20 | | Last modified: | 2017-11-10 | | Release date: | 2017-11-15 | | Identifier: | 2-chloropyridine-4-carboxylic acid |
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 | | A8K | | Name: | 4-(4-hydroxyphenyl)sulfanylphenol | | Formula: | C12 H10 O2 S | | SMILES: | Oc1ccc(Sc2ccc(O)cc2)cc1 | | InChi: | InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H | | Definition date: | 2017-08-17 | | Last modified: | 2017-10-27 | | Release date: | 2017-11-01 | | Identifier: | 4-(4-hydroxyphenyl)sulfanylphenol |
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 | | 6EJ | | Name: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one | | Formula: | C24 H26 F N5 O3 | | SMILES: | c6c1c2c(C(CN2C(C=C1)=O)CN3CCC(CC3)NCc5cc4OCCOc4nn5)c(c6)F | | InChi: | InChI=1S/C24H26FN5O3/c25-19-3-1-15-2-4-21(31)30-14-16(22(19)23(15)30)13-29-7-5-17(6-8-29)26-12-18-11-20-24(28-27-18)33-10-9-32-20/h1-4,11,16-17,26H,5-10,12-14H2/t16-/m1/s1 | | Definition date: | 2016-03-23 | | Last modified: | 2016-05-20 | | Release date: | 2016-05-25 | | Identifier: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one |
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 | | ZND | | Name: | Zinc (II) Deuteroporphyrin IX | | Formula: | C30 H28 N4 O4 Zn | | SMILES: | O=C(O)CCc1c(c2C=C5C(=CC=4C=C7C(=CC6=CC8=N3C(=Cc1n2[Zn]3(N=45)N67)C(=C8C)CCC(=O)O)C)C)C | | InChi: | InChI=1S/C30H30N4O4.Zn/c1-15-9-20-12-25-17(3)21(5-7-29(35)36)27(33-25)14-28-22(6-8-30(37)38)18(4)26(34-28)13-24-16(2)10-19(32-24)11-23(15)31-20 | | Definition date: | 2014-07-30 | | Last modified: | 2016-04-29 | | Release date: | 2016-05-04 | | Identifier: | [3,3'-(3,7,12,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]zinc |
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