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6HQ
6HQ
表記:1,5,5-trimethylimidazolidine-2,4-dione
組成式:C6 H10 N2 O2
SMILES:CN1C(=O)NC(=O)C1(C)C
InChi:InChI=1S/C6H10N2O2/c1-6(2)4(9)7-5(10)8(6)3/h1-3H3,(H,7,9,10)
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:1,5,5-trimethylimidazolidine-2,4-dione
6HR
6HR
表記:3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
組成式:C20 H22 N2 O S
SMILES:Cc1ccccc1c2c(ccc(c2)Nc3nc(CCCO)cs3)C
InChi:InChI=1S/C20H22N2OS/c1-14-6-3-4-8-18(14)19-12-16(10-9-15(19)2)21-20-22-17(13-24-20)7-5-11-23/h3-4,6,8-10,12-13,23H,5,7,11H2,1-2H3,(H,21,22)
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:3-{2-[(2',6-dimethyl[1,1'-biphenyl]-3-yl)amino]-1,3-thiazol-4-yl}propan-1-ol
6HU
6HU
表記:(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol
組成式:C23 H30 N4 O3
SMILES:COC(CO)Cn3ccc(Nc1cc(c(cc1OCCN)C)c2c(cccc2)C)n3
InChi:InChI=1S/C23H30N4O3/c1-16-6-4-5-7-19(16)20-13-21(22(12-17(20)2)30-11-9-24)25-23-8-10-27(26-23)14-18(15-28)29-3/h4-8,10,12-13,18,28H,9,11,14-15,24H2,1-3H3,(H,25,26)/t18-/m0/s1
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2S)-3-(3-{[4-(2-aminoethoxy)-2',6-dimethyl[1,1'-biphenyl]-3-yl]amino}-1H-pyrazol-1-yl)-2-methoxypropan-1-ol
6HV
6HV
表記:(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
組成式:C18 H15 N O S
SMILES:Cc1ccccc1c3c(ccc(C(=O)c2nccs2)c3)C
InChi:InChI=1S/C18H15NOS/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)17(20)18-19-9-10-21-18/h3-11H,1-2H3
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2',6-dimethyl[1,1'-biphenyl]-3-yl)(1,3-thiazol-2-yl)methanone
6HW
6HW
表記:N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
組成式:C17 H16 N2 S
SMILES:Cc1ccccc1c2c(ccc(c2)Nc3nccs3)C
InChi:InChI=1S/C17H16N2S/c1-12-5-3-4-6-15(12)16-11-14(8-7-13(16)2)19-17-18-9-10-20-17/h3-11H,1-2H3,(H,18,19)
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:N-(2',6-dimethyl[1,1'-biphenyl]-3-yl)-1,3-thiazol-2-amine
6HX
6HX
表記:2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
組成式:C13 H12 Cl N
SMILES:Cc1c(cc(N)cc1)c2ccccc2Cl
InChi:InChI=1S/C13H12ClN/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14/h2-8H,15H2,1H3
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:2'-chloro-6-methyl[1,1'-biphenyl]-3-amine
6HZ
6HZ
表記:(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
組成式:C19 H19 N O
SMILES:Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C
InChi:InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
定義日:2016-04-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
6KN
6KN
表記:4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
組成式:C14 H10 F3 N3
SMILES:c3cc(c2c1cnnc1cc(c2)C(F)(F)F)c(C)cn3
InChi:InChI=1S/C14H10F3N3/c1-8-6-18-3-2-10(8)11-4-9(14(15,16)17)5-13-12(11)7-19-20-13/h2-7H,1H3,(H,19,20)
定義日:2016-04-22
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
6KO
6KO
表記:[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
組成式:C18 H19 N5 O3
SMILES:c4c(C(=O)OCC1N(CCC1)c3ccnc2ncnn23)c(OC)ccc4
InChi:InChI=1S/C18H19N5O3/c1-25-15-7-3-2-6-14(15)17(24)26-11-13-5-4-10-22(13)16-8-9-19-18-20-12-21-23(16)18/h2-3,6-9,12-13H,4-5,10-11H2,1H3/t13-/m1/s1
定義日:2016-04-22
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:[(2R)-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl 2-methoxybenzoate
6KP
6KP
表記:7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
組成式:C16 H11 F N6
SMILES:n1c(C)c(cc2c1ncn2)n4c3c(nnc3)c5cc(F)ccc45
InChi:InChI=1S/C16H11FN6/c1-8-13(5-11-16(21-8)19-7-18-11)23-12-3-2-9(17)4-10(12)15-14(23)6-20-22-15/h2-7H,1H3,(H,20,22)(H,18,19,21)
定義日:2016-04-22
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:7-fluoro-4-(5-methyl-3H-imidazo[4,5-b]pyridin-6-yl)-2,4-dihydropyrazolo[4,3-b]indole
6KY
6KY
表記:(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
組成式:C7 H15 N O2 Se
SMILES:N(C)(C(CC[Se]C)C(=O)O)C
InChi:InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
定義日:2016-04-25
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid
6LO
6LO
表記:N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
組成式:C26 H27 N5 O2
SMILES:c12c(c(N)ncn1)c(cn2C3CC(C3)CNC(=O)C)c4cccc(c4)OCc5ccccc5
InChi:InChI=1S/C26H27N5O2/c1-17(32)28-13-19-10-21(11-19)31-14-23(24-25(27)29-16-30-26(24)31)20-8-5-9-22(12-20)33-15-18-6-3-2-4-7-18/h2-9,12,14,16,19,21H,10-11,13,15H2,1H3,(H,28,32)(H2,27,29,30)
定義日:2016-05-02
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:N-[(3-{4-amino-5-[3-(benzyloxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclobutyl)methyl]acetamide
6O8
6O8
表記:(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
組成式:C19 H39 N O8 P
SMILES:CCCCC(OCC(OC(=O)CCCCC)COP(OCC[N+](C)(C)C)(O)=O)=O
InChi:InChI=1S/C19H38NO8P/c1-6-8-10-12-19(22)28-17(15-25-18(21)11-9-7-2)16-27-29(23,24)26-14-13-20(3,4)5/h17H,6-16H2,1-5H3/p+1/t17-/m0/s1
定義日:2016-05-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium
6O9
6O9
表記:(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
組成式:C12 H24 N O8 P
SMILES:NCCOP(=O)(O)OCC(COC(CCCC)=O)OC(=O)C
InChi:InChI=1S/C12H24NO8P/c1-3-4-5-12(15)18-8-11(21-10(2)14)9-20-22(16,17)19-7-6-13/h11H,3-9,13H2,1-2H3,(H,16,17)/t11-/m0/s1
定義日:2016-05-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
6OE
6OE
表記:(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
組成式:C17 H34 N O8 P
SMILES:NCCOP(=O)(O)OCC(COC(CCCCC)=O)OC(CCCCC)=O
InChi:InChI=1S/C17H34NO8P/c1-3-5-7-9-16(19)23-13-15(26-17(20)10-8-6-4-2)14-25-27(21,22)24-12-11-18/h15H,3-14,18H2,1-2H3,(H,21,22)/t15-/m0/s1
定義日:2016-05-12
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate
5UY
5UY
表記:methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
組成式:C17 H19 N7 O3
SMILES:COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC[CH]3CNCCO3
InChi:InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)/t12-/m1/s1
定義日:2015-12-04
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:methyl 6-[(5-cyanopyrazin-2-yl)amino]-4-[[(2~{R})-morpholin-2-yl]methylamino]pyridine-3-carboxylate
4YO
4YO
表記:6-bromo-3,4-dihydroquinoxalin-2(1H)-one
組成式:C8 H7 Br N2 O
SMILES:O=C2CNc1cc(Br)ccc1N2
InChi:InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)10-4-8(12)11-6/h1-3,10H,4H2,(H,11,12)
定義日:2015-06-25
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:6-bromo-3,4-dihydroquinoxalin-2(1H)-one
4YS
4YS
表記:isoquinolin-1(2H)-one
組成式:C9 H7 N O
SMILES:c1cccc2c1C=CNC2=O
InChi:InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
定義日:2015-06-26
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:isoquinolin-1(2H)-one
EHS
EHS
表記:2S-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-[(2S)-2-[(2,3-DIHYDROXYPHENYL)CARBONYLAMINO]-3-HYDROXY-PROPANOYL]OXY-PROPANOIC ACID
組成式:C20 H20 N2 O11
SMILES:OC[CH](NC(=O)c1cccc(O)c1O)C(=O)OC[CH](NC(=O)c2cccc(O)c2O)C(O)=O
InChi:InChI=1S/C20H20N2O11/c23-7-11(21-17(28)9-3-1-5-13(24)15(9)26)20(32)33-8-12(19(30)31)22-18(29)10-4-2-6-14(25)16(10)27/h1-6,11-12,23-27H,7-8H2,(H,21,28)(H,22,29)(H,30,31)/t11-,12-/m0/s1
定義日:2015-08-24
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[(2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanyl-propanoyl]oxy-propanoic acid
5F3
5F3
表記:3,5-di(pyridin-4-yl)benzoic acid
組成式:C17 H12 N2 O2
SMILES:C(=O)(O)c2cc(c1ccncc1)cc(c2)c3ccncc3
InChi:InChI=1S/C17H12N2O2/c20-17(21)16-10-14(12-1-5-18-6-2-12)9-15(11-16)13-3-7-19-8-4-13/h1-11H,(H,20,21)
定義日:2015-09-18
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:3,5-di(pyridin-4-yl)benzoic acid
5F5
5F5
表記:3-(1,3-thiazol-2-yl)benzoic acid
組成式:C10 H7 N O2 S
SMILES:c2(c1sccn1)cccc(c2)C(O)=O
InChi:InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
定義日:2015-09-18
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:3-(1,3-thiazol-2-yl)benzoic acid
5F8
5F8
表記:3-(pyridin-3-yl)benzoic acid
組成式:C12 H9 N O2
SMILES:OC(=O)c1cccc(c1)c2cccnc2
InChi:InChI=1S/C12H9NO2/c14-12(15)10-4-1-3-9(7-10)11-5-2-6-13-8-11/h1-8H,(H,14,15)
定義日:2015-09-18
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:3-(pyridin-3-yl)benzoic acid
5GT
5GT
表記:7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one
組成式:C9 H7 F3 N2 O
SMILES:FC(F)(F)c1ccc2c(c1)NC(CN2)=O
InChi:InChI=1S/C9H7F3N2O/c10-9(11,12)5-1-2-6-7(3-5)14-8(15)4-13-6/h1-3,13H,4H2,(H,14,15)
定義日:2015-09-24
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:7-(trifluoromethyl)-3,4-dihydroquinoxalin-2(1H)-one
5GU
5GU
表記:7-bromo-3,4-dihydroquinoxalin-2(1H)-one
組成式:C8 H7 Br N2 O
SMILES:O=C2CNc1ccc(Br)cc1N2
InChi:InChI=1S/C8H7BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-3,10H,4H2,(H,11,12)
定義日:2015-09-24
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:7-bromo-3,4-dihydroquinoxalin-2(1H)-one
5GV
5GV
表記:(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid
組成式:C11 H12 N2 O3
SMILES:O=C1C(Nc2c(N1)cc(cc2)C(O)=O)CC
InChi:InChI=1S/C11H12N2O3/c1-2-7-10(14)13-9-5-6(11(15)16)3-4-8(9)12-7/h3-5,7,12H,2H2,1H3,(H,13,14)(H,15,16)/t7-/m1/s1
定義日:2015-09-24
最終更新日:2016-05-20
公開日:2016-05-25
識別子（ID）:(2R)-2-ethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

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