 | | 8W3 | | Name: | 2-amino-4-((R)-1-((R,Z)-6-(5-chloro-2-methoxybenzyl)-7-oxo-3-(phenoxyimino)-1,4-diazepane-1-carboxamido)propyl)benzoic
acid | | Formula: | C30 H32 Cl N5 O6 | | SMILES: | CC[CH](NC(=O)N1CC(NC[CH](Cc2cc(Cl)ccc2OC)C1=O)=NOc3ccccc3)c4ccc(C(O)=O)c(N)c4 | | InChi: | InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1 | | Synonyms: | 2-azanyl-4-[(1R)-1-[[(3Z,6R)-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]
carbonylamino]propyl]benzoic acid | | Definition date: | 2017-10-12 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-27 | | Identifier: | 2-azanyl-4-[(1~{R})-1-[[(3~{Z},6~{R})-6-[(5-chloranyl-2-methoxy-phenyl)methyl]-7-oxidanylidene-3-phenoxyimino-1,4-diazepan-1-yl]carbonylamino]propyl]benzoic acid |
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 | | 8WF | | Name: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol | | Formula: | C21 H31 N O2 | | SMILES: | CCCCCCCCCCCCc1cc(O)c2ccccc2[n+]1[O-] | | InChi: | InChI=1S/C21H31NO2/c1-2-3-4-5-6-7-8-9-10-11-14-18-17-21(23)19-15-12-13-16-20(19)22(18)24/h12-13,15-17,23H,2-11,14H2,1H3 | | Synonyms: | 2-dodecyl -4-HYDROXY QUINOLINE N-OXIDE | | Definition date: | 2017-10-16 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-14 | | Identifier: | 2-dodecyl-1-oxidanidyl-quinolin-1-ium-4-ol |
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 | | 8YF | | Name: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole
-5-carboxylic acid | | Formula: | C12 H19 N3 O5 S | | SMILES: | C[CH](O)[CH]([CH]1CC(=C(N1)C(O)=O)SCCNC=N)C(O)=O | | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-7,9,15-16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,9-/m1/s1 | | Synonyms: | Imipenem, hydrolyzed form | | Definition date: | 2017-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-21 | | Identifier: | (2~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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 | | 8YL | | Name: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan
yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid | | Formula: | C17 H27 N3 O6 S | | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O)C(O)=O | | InChi: | InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Meropenem, hydrolyzed form | | Definition date: | 2017-11-08 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-13 | | 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-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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 | | 8Z0 | | Name: | (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3
-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | | Formula: | C41 H48 N4 O8 S | | SMILES: | COc1cccc2cc(oc12)C(=O)N[CH]([CH]3CCOC3)C(=O)N[CH](Cc4ccccc4)[CH](O)C(=O)N5CSC(C)(C)[CH]5C(=O)NCc6c(C)cccc6C | | InChi: | InChI=1S/C41H48N4O8S/c1-24-11-9-12-25(2)29(24)21-42-39(49)36-41(3,4)54-23-45(36)40(50)34(46)30(19-26-13-7-6-8-14-26)43-38(48)33(28-17-18-52-22-28)44-37(47)32-20-27-15-10-16-31(51-5)35(27)53-32/h6-16,20,28,30,33-34,36,46H,17-19,21-23H2,1-5H3,(H,42,49)(H,43,48)(H,44,47)/t28-,30-,33-,34-,36+/m0/s1 | | Synonyms: | KNI-1657 | | Definition date: | 2017-11-09 | | Last modified: | 2020-06-17 | | Release date: | 2018-07-11 | | Identifier: | (4~{R})-~{N}-[(2,6-dimethylphenyl)methyl]-3-[(2~{S},3~{S})-3-[[(2~{S})-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3~{R})-oxolan-3-yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | F01 | | Name: | 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one | | Formula: | C9 H12 F N3 O5 | | SMILES: | FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N | | InChi: | InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1 | | Synonyms: | 4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one | | Definition date: | 2008-09-29 | | Last modified: | 2020-06-17 | | Identifier: | 5-fluorocytidine |
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 | | F0G | | Name: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine | | Formula: | C11 H15 N2 O7 P | | SMILES: | n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C | | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1 | | Synonyms: | PLP-Ala | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine |
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 | | F0M | | Name: | 2-methoxy-4-nitrophenol | | Formula: | C7 H7 N O4 | | SMILES: | COc1c(O)ccc(c1)N(=O)=O | | InChi: | InChI=1S/C7H7NO4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3 | | Synonyms: | 4-Nitroguaiacol | | Definition date: | 2018-02-22 | | Last modified: | 2020-06-17 | | Release date: | 2019-01-16 | | Identifier: | 2-methoxy-4-nitrophenol |
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 | | F1J | | Name: | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide | | Formula: | C14 H20 F N3 O S | | SMILES: | Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCS | | InChi: | InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1 | | Synonyms: | 4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide | | Definition date: | 2008-03-19 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide |
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 | | F1L | | Name: | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | | Formula: | C18 H27 Br N2 O3 S | | SMILES: | Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS)CC2 | | InChi: | InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22) | | Synonyms: | N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | | Definition date: | 2008-03-20 | | Last modified: | 2020-06-17 | | Identifier: | N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide |
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 | | F2M | | Name: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine | | Formula: | C9 H13 N O | | SMILES: | CC=CN(C)Cc1occc1 | | InChi: | InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+ | | Synonyms: | F2MPA | | Definition date: | 2017-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | (~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine |
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 | | F3H | | Name: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol | | Formula: | C11 H16 F N2 O8 P | | SMILES: | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O | | InChi: | InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1 | | Synonyms: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate | | Definition date: | 2011-01-04 | | Last modified: | 2020-06-17 | | Identifier: | 1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol |
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 | | F4M | | Name: | 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5
-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol | | Formula: | C31 H45 N6 O17 P | | SMILES: | O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C | | InChi: | InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1 | | Synonyms: | N5-formyl-tetrahydromethanopterin | | Definition date: | 2012-09-20 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol |
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 | | F5P | | Name: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl
[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Formula: | C17 H28 N4 O15 P2 | | SMILES: | C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O | | InChi: | InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1 | | Synonyms: | UDP-4-amino-4,6-dideoxy-L-AltNAc | | Definition date: | 2018-02-28 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | F6F | | Name: | 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE | | Formula: | C10 H11 F3 N O6 P | | SMILES: | FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O | | InChi: | InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18) | | Synonyms: | N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6 | | Definition date: | 2004-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate |
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 | | F83 | | Name: | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE | | Formula: | C16 H17 Cl N2 O3 S | | SMILES: | Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO | | InChi: | InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1 | | Synonyms: | 3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE | | Definition date: | 2006-03-09 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
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 | | F8P | | Name: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid | | Formula: | C19 H16 F2 N2 O4 | | SMILES: | c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N | | InChi: | InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26) | | Synonyms: | 7-(4,4-difluorocyclohexyl) Analog of Amlexanox | | Definition date: | 2018-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-05 | | Identifier: | 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
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 | | F8S | | Name: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid | | Formula: | C18 H16 N2 O6 S | | SMILES: | c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C3=O)n4)C(O)=O)N | | InChi: | InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23) | | Synonyms: | 7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox | | Definition date: | 2018-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-05 | | Identifier: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid |
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 | | F94 | | Name: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one | | Formula: | C15 H10 O4 | | SMILES: | O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3 | | InChi: | InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H | | Synonyms: | 7,3-dihydroxyflavone | | Definition date: | 2012-10-23 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one |
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 | | F9F | | Name: | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | | Formula: | C9 H11 F3 N O7 P S | | SMILES: | FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O | | InChi: | InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16) | | Synonyms: | N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9 | | Definition date: | 2004-08-04 | | Last modified: | 2020-06-17 | | Identifier: | 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate |
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 | | F9P | | Name: | N-hydroxycyclohexanecarboxamide | | Formula: | C7 H13 N O2 | | SMILES: | C1CCCCC1C(NO)=O | | InChi: | InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9) | | Synonyms: | cyclohexylhydroxamate | | Definition date: | 2018-03-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-05-30 | | Identifier: | N-hydroxycyclohexanecarboxamide |
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 | | FAJ | | Name: | FAD-trans-2-Phenylcyclopropylamine Adduct | | Formula: | C36 H43 N9 O16 P2 | | SMILES: | O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O | | InChi: | InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-25,27-29,32,46-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H,42,52,53)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1 | | Synonyms: | FAD-PCPA Adduct | | Definition date: | 2013-03-15 | | Last modified: | 2020-06-17 | | Release date: | 2013-03-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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 | | FAY | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl
(2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen
diphosphate | | Formula: | C27 H31 N9 O16 P2 | | SMILES: | O=Cc2c(cc3N=C1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C | | InChi: | InChI=1S/C27H31N9O16P2/c1-10-2-12-13(3-11(10)5-37)35(24-18(32-12)25(43)34-27(44)33-24)4-14(38)19(40)15(39)6-49-53(45,46)52-54(47,48)50-7-16-20(41)21(42)26(51-16)36-9-31-17-22(28)29-8-30-23(17)36/h2-3,5,8-9,14-16,19-21,26,38-42H,4,6-7H2,1H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | | Synonyms: | 8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE | | Definition date: | 2011-06-02 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
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 | | FB7 | | Name: | 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine | | Formula: | C19 H22 F3 N5 O2 | | SMILES: | Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3)N4CCOCC4)C(F)(F)F | | InChi: | InChI=1S/C19H22F3N5O2/c20-19(21,22)15-11-16(23)24-12-14(15)13-9-17(26-1-5-28-6-2-26)25-18(10-13)27-3-7-29-8-4-27/h9-12H,1-8H2,(H2,23,24) | | Synonyms: | MBT147 | | Definition date: | 2016-10-27 | | Last modified: | 2020-06-17 | | Release date: | 2017-02-22 | | Identifier: | 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine |
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 | | FBM | | Name: | N-hydroxycyclohex-1-ene-1-carboxamide | | Formula: | C7 H11 N O2 | | SMILES: | C1C(C(=O)NO)=CCCC1 | | InChi: | InChI=1S/C7H11NO2/c9-7(8-10)6-4-2-1-3-5-6/h4,10H,1-3,5H2,(H,8,9) | | Synonyms: | cyclohexenylhydroxamate | | Definition date: | 2018-03-22 | | Last modified: | 2020-06-17 | | Release date: | 2018-05-30 | | Identifier: | N-hydroxycyclohex-1-ene-1-carboxamide |
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