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LFO
LFO
表記:N,1-dimethyl-1H-indole-3-carboxamide
組成式:C11 H12 N2 O
SMILES:CNC(=O)c1cn(C)c2ccccc21
InChi:InChI=1S/C11H12N2O/c1-12-11(14)9-7-13(2)10-6-4-3-5-8(9)10/h3-7H,1-2H3,(H,12,14)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:N,1-dimethyl-1H-indole-3-carboxamide
LGR
LGR
表記:2-[acetyl(methyl)amino]benzoic acid
組成式:C10 H11 N O3
SMILES:CN(C(C)=O)c1ccccc1C(=O)O
InChi:InChI=1S/C10H11NO3/c1-7(12)11(2)9-6-4-3-5-8(9)10(13)14/h3-6H,1-2H3,(H,13,14)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:2-[acetyl(methyl)amino]benzoic acid
LJ6
LJ6
表記:(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide
組成式:C11 H18 N2 O2
SMILES:CC(Cc1c(C)onc1C)C(=O)N(C)C
InChi:InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide
LJK
LJK
表記:3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
組成式:C10 H17 N3 O
SMILES:O=C(NC(C)(C)CC)c1cc(C)n[NH]1
InChi:InChI=1S/C10H17N3O/c1-5-10(3,4)11-9(14)8-6-7(2)12-13-8/h6H,5H2,1-4H3,(H,11,14)(H,12,13)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide
LK6
LK6
表記:N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
組成式:C9 H15 N O3 S
SMILES:O=S1(=O)CCC(C)(NC(=O)C2CC2)C1
InChi:InChI=1S/C9H15NO3S/c1-9(4-5-14(12,13)6-9)10-8(11)7-2-3-7/h7H,2-6H2,1H3,(H,10,11)/t9-/m1/s1
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide
LKU
LKU
表記:3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
組成式:C14 H12 F N O2
SMILES:Cc1ccc(NC(=O)c2cccc(F)c2)cc1O
InChi:InChI=1S/C14H12FNO2/c1-9-5-6-12(8-13(9)17)16-14(18)10-3-2-4-11(15)7-10/h2-8,17H,1H3,(H,16,18)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
LL0
LL0
表記:2-(difluoromethoxy)benzene-1-sulfonamide
組成式:C7 H7 F2 N O3 S
SMILES:O=S(N)(=O)c1ccccc1OC(F)F
InChi:InChI=1S/C7H7F2NO3S/c8-7(9)13-5-3-1-2-4-6(5)14(10,11)12/h1-4,7H,(H2,10,11,12)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:2-(difluoromethoxy)benzene-1-sulfonamide
LO6
LO6
表記:2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
組成式:C9 H15 F2 N O3
SMILES:O=C(COC(F)F)N1CC(C)OC(C)C1
InChi:InChI=1S/C9H15F2NO3/c1-6-3-12(4-7(2)15-6)8(13)5-14-9(10)11/h6-7,9H,3-5H2,1-2H3/t6-,7+
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
LQI
LQI
表記:(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
組成式:C15 H17 N O2
SMILES:CC1CCN(CC1)C(=O)c1cc2ccccc2o1
InChi:InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone
LQP
LQP
表記:2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
組成式:C10 H15 F2 N O2
SMILES:FC(F)OCC(=O)N1CC2CCCC2C1
InChi:InChI=1S/C10H15F2NO2/c11-10(12)15-6-9(14)13-4-7-2-1-3-8(7)5-13/h7-8,10H,1-6H2/t7-,8+
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one
LQV
LQV
表記:(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
組成式:C11 H14 N2 O2
SMILES:O=C(Nc1ccc(C)cn1)C1CCCO1
InChi:InChI=1S/C11H14N2O2/c1-8-4-5-10(12-7-8)13-11(14)9-3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,12,13,14)/t9-/m0/s1
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide
LRF
LRF
表記:N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
組成式:C8 H10 N4 O S
SMILES:N#Cc1c(snc1C)N(C)CC(N)=O
InChi:InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide
LRR
LRR
表記:1-(morpholin-4-yl)-4-phenylbutan-1-one
組成式:C14 H19 N O2
SMILES:O=C(CCCc1ccccc1)N1CCOCC1
InChi:InChI=1S/C14H19NO2/c16-14(15-9-11-17-12-10-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12H2
定義日:2022-03-04
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:1-(morpholin-4-yl)-4-phenylbutan-1-one
I7K
I7K
表記:1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
組成式:C20 H17 N O8 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCC(CC1)C(=O)O
InChi:InChI=1S/C20H17NO8S/c22-16-11-3-1-2-4-12(11)17(23)15-13(16)9-14(18(24)19(15)25)30(28,29)21-7-5-10(6-8-21)20(26)27/h1-4,9-10,24-25H,5-8H2,(H,26,27)
定義日:2022-01-20
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-4-carboxylic acid
I7N
I7N
表記:N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid
組成式:C24 H22 N2 O11 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)NC(CC(=O)O)C(=O)O
InChi:InChI=1S/C24H22N2O11S/c27-17(28)9-15(24(34)35)25-23(33)11-4-3-7-26(10-11)38(36,37)16-8-14-18(22(32)21(16)31)20(30)13-6-2-1-5-12(13)19(14)29/h1-2,5-6,8,11,15,31-32H,3-4,7,9-10H2,(H,25,33)(H,27,28)(H,34,35)/t11-,15+/m1/s1
定義日:2022-01-21
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:N-[(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carbonyl]-L-aspartic acid
I7V
I7V
表記:(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
組成式:C20 H17 N O8 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCCC(C1)C(=O)O
InChi:InChI=1S/C20H17NO8S/c22-16-11-5-1-2-6-12(11)17(23)15-13(16)8-14(18(24)19(15)25)30(28,29)21-7-3-4-10(9-21)20(26)27/h1-2,5-6,8,10,24-25H,3-4,7,9H2,(H,26,27)/t10-/m1/s1
定義日:2022-01-21
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(3R)-1-(3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
I8Q
I8Q
表記:4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
組成式:C14 H9 N O6 S
SMILES:O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O
InChi:InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21)
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
I8U
I8U
表記:3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
組成式:C14 H8 O6 S
SMILES:O=S(=O)(O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:InChI=1S/C14H8O6S/c15-11-5-9-10(6-12(11)21(18,19)20)14(17)8-4-2-1-3-7(8)13(9)16/h1-6,15H,(H,18,19,20)
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
I8Y
I8Y
表記:3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
組成式:C14 H9 N O6 S
SMILES:O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1N
InChi:InChI=1S/C14H9NO6S/c15-11-9(22(19,20)21)5-8-10(14(11)18)13(17)7-4-2-1-3-6(7)12(8)16/h1-5,18H,15H2,(H,19,20,21)
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:3-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
I91
I91
表記:N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
組成式:C16 H11 N O7 S
SMILES:O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20)
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine
I99
I99
表記:(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
組成式:C20 H17 N O7 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCCC(C1)C(=O)O
InChi:InChI=1S/C20H17NO7S/c22-16-8-14-15(19(24)13-6-2-1-5-12(13)18(14)23)9-17(16)29(27,28)21-7-3-4-11(10-21)20(25)26/h1-2,5-6,8-9,11,22H,3-4,7,10H2,(H,25,26)/t11-/m1/s1
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(3R)-1-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperidine-3-carboxylic acid
I9C
I9C
表記:methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
組成式:C17 H13 N O7 S
SMILES:O=C(OC)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O
InChi:InChI=1S/C17H13NO7S/c1-25-15(20)8-18-26(23,24)14-7-12-11(6-13(14)19)16(21)9-4-2-3-5-10(9)17(12)22/h2-7,18-19H,8H2,1H3
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:methyl N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycinate
I9F
I9F
表記:dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
組成式:C26 H26 N2 O11 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)OC)C(=O)OC
InChi:InChI=1S/C26H26N2O11S/c1-38-22(31)14-26(35,25(34)39-2)13-21(30)27-7-9-28(10-8-27)40(36,37)20-12-18-17(11-19(20)29)23(32)15-5-3-4-6-16(15)24(18)33/h3-6,11-12,29,35H,7-10,13-14H2,1-2H3/t26-/m1/s1
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate
I9K
I9K
表記:(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
組成式:C24 H22 N2 O11 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2cc1O)N1CCN(CC1)C(=O)CC(O)(CC(=O)O)C(=O)O
InChi:InChI=1S/C24H22N2O11S/c27-17-9-15-16(22(32)14-4-2-1-3-13(14)21(15)31)10-18(17)38(36,37)26-7-5-25(6-8-26)19(28)11-24(35,23(33)34)12-20(29)30/h1-4,9-10,27,35H,5-8,11-12H2,(H,29,30)(H,33,34)/t24-/m1/s1
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:(2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioic acid
I9N
I9N
表記:1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione
組成式:C18 H16 N2 O6 S
SMILES:O=S(=O)(c1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O)N1CCNCC1
InChi:InChI=1S/C18H16N2O6S/c21-15-10-3-1-2-4-11(10)16(22)14-12(15)9-13(17(23)18(14)24)27(25,26)20-7-5-19-6-8-20/h1-4,9,19,23-24H,5-8H2
定義日:2022-01-24
最終更新日:2022-03-11
公開日:2022-03-16
識別子（ID）:1,2-dihydroxy-3-(piperazine-1-sulfonyl)anthracene-9,10-dione

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