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YMS
YMS
表記:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25+/m0/s1
定義日:2021-03-12
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YMV
YMV
表記:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C26 H39 N3 O8 S
SMILES:CC(C)CC(NC(=O)OC1CCC(CC1)c1ccccc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C26H39N3O8S/c1-16(2)14-21(24(31)28-22(25(32)38(34,35)36)15-19-12-13-27-23(19)30)29-26(33)37-20-10-8-18(9-11-20)17-6-4-3-5-7-17/h3-7,16,18-22,25,32H,8-15H2,1-2H3,(H,27,30)(H,28,31)(H,29,33)(H,34,35,36)/t18-,19-,20-,21-,22-,25-/m0/s1
定義日:2021-03-12
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1r,4S)-4-phenylcyclohexyl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YMY
YMY
表記:(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C24 H43 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23+/m0/s1
定義日:2021-03-12
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YN1
YN1
表記:(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid
組成式:C24 H43 N3 O8 S
SMILES:CC(C)CC(NC(=O)OCC1CCC(CCC)CC1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O
InChi:InChI=1S/C24H43N3O8S/c1-4-5-16-6-8-17(9-7-16)14-35-24(31)27-19(12-15(2)3)22(29)26-20(23(30)36(32,33)34)13-18-10-11-25-21(18)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/t16-,17-,18-,19-,20-,23-/m0/s1
定義日:2021-03-12
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1s,4S)-4-propylcyclohexyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
YNJ
YNJ
表記:7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid
組成式:C25 H34 Cl2 O4
SMILES:O=C(O)CCCCCCOc1cc2CC(CCCC)(C(=O)c2c(Cl)c1Cl)C1CCCC1
InChi:InChI=1S/C25H34Cl2O4/c1-2-3-13-25(18-10-7-8-11-18)16-17-15-19(22(26)23(27)21(17)24(25)30)31-14-9-5-4-6-12-20(28)29/h15,18H,2-14,16H2,1H3,(H,28,29)/t25-/m0/s1
定義日:2021-03-15
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid
YO7
YO7
表記:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)
組成式:C17 H27 N5 O17 P2
SMILES:NC1=Nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OC3OC(C(O)C(O)C3O)C(O)CO)C(O)C2O)C(=O)N1
InChi:InChI=1S/C17H27N5O17P2/c18-17-20-13-6(14(30)21-17)19-3-22(13)15-10(28)7(25)5(36-15)2-35-40(31,32)39-41(33,34)38-16-11(29)8(26)9(27)12(37-16)4(24)1-23/h3-5,7-12,15-16,23-29H,1-2H2,(H,31,32)(H,33,34)(H3,18,20,21,30)/t4-,5-,7-,8-,9-,10-,11+,12+,15-,16-/m1/s1
定義日:2021-03-16
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4R,5R,6S)-6-[(1R)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl dihydrogen diphosphate (non-preferred name)
HUF
HUF
表記:[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
組成式:C28 H35 N9 O16 P2
SMILES:Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=C(N(C=O)c2cc1C)C(=O)NC(=O)N6
InChi:InChI=1S/C28H35N9O16P2/c1-11-3-13-14(4-12(11)2)37(10-38)19-25(33-28(45)34-26(19)44)35(13)5-15(39)20(41)16(40)6-50-54(46,47)53-55(48,49)51-7-17-21(42)22(43)27(52-17)36-9-32-18-23(29)30-8-31-24(18)36/h3-4,8-10,15-17,20-22,27,39-43H,5-7H2,1-2H3,(H,46,47)(H,48,49)(H2,29,30,31)(H2,33,34,44,45)/t15-,16+,17+,20-,21+,22+,27+/m0/s1
定義日:2021-02-02
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
G8C
G8C
表記:1,2-Dioctanoyl-SN-Glycero-3-Phosphoethanolamine
組成式:C21 H42 N O8 P
SMILES:CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
InChi:InChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1
定義日:2020-08-05
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:[(2~{R})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-octanoyloxy-propyl] octanoate
F9T
F9T
表記:6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
組成式:C23 H25 N O4
SMILES:CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2)c(O)c1
InChi:InChI=1S/C23H25NO4/c1-2-3-4-5-7-17-10-15-21(20(25)16-17)27-18-11-13-19(14-12-18)28-23-9-6-8-22(26)24-23/h6,8-16,25H,2-5,7H2,1H3,(H,24,26)
定義日:2018-06-15
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
R7B
R7B
表記:8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one
組成式:C12 H15 N3 O
SMILES:O=C1NC=C(C2CCCCC2)c3nccn13
InChi:InChI=1S/C12H15N3O/c16-12-14-8-10(9-4-2-1-3-5-9)11-13-6-7-15(11)12/h6-9H,1-5H2,(H,14,16)
定義日:2020-09-14
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:8-cyclohexyl-6~{H}-imidazo[1,2-c]pyrimidin-5-one
R7K
R7K
表記:~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
組成式:C17 H13 F2 N3 O5
SMILES:OCc1ccnc2N(O)C(=O)C(=C(O)c12)C(=O)NCc3ccc(F)cc3F
InChi:InChI=1S/C17H13F2N3O5/c18-10-2-1-8(11(19)5-10)6-21-16(25)13-14(24)12-9(7-23)3-4-20-15(12)22(27)17(13)26/h1-5,23-24,27H,6-7H2,(H,21,25)
定義日:2020-09-17
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-5-(hydroxymethyl)-1,4-bis(oxidanyl)-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
R7N
R7N
表記:4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
組成式:C24 H27 F2 N5 O6 S
SMILES:NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc(CC[S](=O)(=O)CCN4CCOCC4)cc13
InChi:InChI=1S/C24H27F2N5O6S/c25-17-2-1-16(19(26)12-17)14-29-23(32)20-21(27)18-11-15(13-28-22(18)31(34)24(20)33)3-9-38(35,36)10-6-30-4-7-37-8-5-30/h1-2,11-13,34H,3-10,14,27H2,(H,29,32)
別名:INSTI XZ447
定義日:2020-09-17
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[2-(2-morpholin-4-ylethylsulfonyl)ethyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
P8W
P8W
表記:2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
組成式:C19 H19 N3 O
SMILES:CN1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3
InChi:InChI=1S/C19H19N3O/c1-14-18(13-21-22(2)19(14)23)20-12-16-10-6-7-11-17(16)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3
別名:Biphenyl-methylamino-dimethylpyridazinone
定義日:2020-04-18
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one
P8Z
P8Z
表記:2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
組成式:C18 H25 N5 O
SMILES:CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=C3
InChi:InChI=1S/C18H25N5O/c1-14-16(13-20-22(3)18(14)24)19-12-15-6-4-5-7-17(15)23-10-8-21(2)9-11-23/h4-7,13,19H,8-12H2,1-3H3
別名:dimethyl-methylpiperazinyl-benzyl-aminopyridazinone
定義日:2020-04-18
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one
TYG
TYG
表記:8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
組成式:C15 H13 N3 O S
SMILES:c1cc3c(c(C)c1)N=C(CSc2ccncc2)NC3=O
InChi:InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)
定義日:2020-04-02
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
TZ7
TZ7
表記:2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
組成式:C16 H20 N2 O2 S
SMILES:c3cc2C(=O)NC(CSC1CCC(CC1)O)=Nc2c(C)c3
InChi:InChI=1S/C16H20N2O2S/c1-10-3-2-4-13-15(10)17-14(18-16(13)20)9-21-12-7-5-11(19)6-8-12/h2-4,11-12,19H,5-9H2,1H3,(H,17,18,20)/t11-,12-
定義日:2020-04-02
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:2-{[(trans-4-hydroxycyclohexyl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one
TG7
TG7
表記:4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
組成式:C21 H15 N3 O4
SMILES:c1(nc3ccccn3c1Nc2cc(C(O)=O)c(C(O)=O)cc2)c4ccccc4
InChi:InChI=1S/C21H15N3O4/c25-20(26)15-10-9-14(12-16(15)21(27)28)22-19-18(13-6-2-1-3-7-13)23-17-8-4-5-11-24(17)19/h1-12,22H,(H,25,26)(H,27,28)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]benzene-1,2-dicarboxylic acid
TGM
TGM
表記:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
組成式:C21 H15 N3 O5
SMILES:c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O
InChi:InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
TGV
TGV
表記:4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
組成式:C20 H14 N4 O4
SMILES:c2(c(n1ccncc1n2)Nc3cc(C(O)=O)c(C(O)=O)cc3)c4ccccc4
InChi:InChI=1S/C20H14N4O4/c25-19(26)14-7-6-13(10-15(14)20(27)28)22-18-17(12-4-2-1-3-5-12)23-16-11-21-8-9-24(16)18/h1-11,22H,(H,25,26)(H,27,28)
定義日:2020-03-20
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:4-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]benzene-1,2-dicarboxylic acid
U9S
U9S
表記:(2R,3S)-oxirane-2,3-dicarboxylic acid
組成式:C4 H4 O5
SMILES:C(C1C(O1)C(O)=O)(=O)O
InChi:InChI=1S/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)/t1-,2+
別名:cis-2,3-epoxysuccinic acid
定義日:2020-05-05
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:(2R,3S)-oxirane-2,3-dicarboxylic acid
UG1
UG1
表記:5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
組成式:C9 H9 N5 O
SMILES:C(c1ncn(c1N)c2ccncc2)(N)=O
InChi:InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15)
定義日:2020-05-15
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
UG4
UG4
表記:5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
組成式:C9 H9 N5 O
SMILES:c1(cccnc1)n2c(c(nc2)C(N)=O)N
InChi:InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15)
定義日:2020-05-16
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
UL8
UL8
表記:~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
組成式:C20 H22 N4 O2
SMILES:CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3
InChi:InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1
定義日:2021-03-01
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
ULB
ULB
表記:3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
組成式:C16 H15 N3 O
SMILES:Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3
InChi:InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19)
定義日:2021-03-01
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
UM5
UM5
表記:N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
組成式:C18 H19 N5 O2
SMILES:CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
InChi:InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24)
別名:~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
定義日:2021-03-02
最終更新日:2021-03-19
公開日:2021-03-24
識別子（ID）:~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide

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件を2024-09-18に公開中

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