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8VD
8VD
表記:N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
組成式:C10 H13 F3 N4
SMILES:FC(F)(F)c1cc(ncn1)NC1CCNCC1
InChi:InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17)
定義日:2021-10-01
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
8W1
8W1
表記:(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
組成式:C9 H7 F3 N2 O
SMILES:FC(F)(F)c1cn2C=C(C)NC(=O)c2c1
InChi:InChI=1S/C9H7F3N2O/c1-5-3-14-4-6(9(10,11)12)2-7(14)8(15)13-5/h2-4H,1H3,(H,13,15)
定義日:2021-10-01
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
8WP
8WP
表記:2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
組成式:C9 H7 F3 N4 O2
SMILES:NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F
InChi:InChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)
定義日:2021-10-01
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
8XF
8XF
表記:6-(trifluoromethyl)pyrimidin-4-amine
組成式:C5 H4 F3 N3
SMILES:Nc1cc(ncn1)C(F)(F)F
InChi:InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
定義日:2021-10-01
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:6-(trifluoromethyl)pyrimidin-4-amine
I6J
I6J
表記:(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
組成式:C19 H24 F2 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C(=O)O)C(F)F
InChi:InChI=1S/C19H24F2N4O4/c1-2-13-15(17(22)25-19(23)24-13)29-9-5-8-28-14-7-4-3-6-11(14)10-12(16(20)21)18(26)27/h3-4,6-7,12,16H,2,5,8-10H2,1H3,(H,26,27)(H4,22,23,24,25)/t12-/m1/s1
定義日:2022-01-17
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2S)-2-[(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)methyl]-3,3-difluoropropanoic acid
I81
I81
表記:1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
組成式:C14 H20 N2 O2
SMILES:NC(=O)C1CCN(Cc2cc(OC)ccc2)CC1
InChi:InChI=1S/C14H20N2O2/c1-18-13-4-2-3-11(9-13)10-16-7-5-12(6-8-16)14(15)17/h2-4,9,12H,5-8,10H2,1H3,(H2,15,17)
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
I87
I87
表記:(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
組成式:C9 H20 N2 O3 S
SMILES:CC1CN(CCO1)S(=O)(=O)N(C)C(C)C
InChi:InChI=1S/C9H20N2O3S/c1-8(2)10(4)15(12,13)11-5-6-14-9(3)7-11/h8-9H,5-7H2,1-4H3/t9-/m0/s1
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2S)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide
I8A
I8A
表記:N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
組成式:C12 H22 N2 O
SMILES:CC1(C)N(CC1(C)C)C(=O)NCC1CC1
InChi:InChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15)
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:N-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
I8D
I8D
表記:(4-chlorophenyl)(thiomorpholin-4-yl)methanone
組成式:C11 H12 Cl N O S
SMILES:O=C(c1ccc(Cl)cc1)N1CCSCC1
InChi:InChI=1S/C11H12ClNOS/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(4-chlorophenyl)(thiomorpholin-4-yl)methanone
I8G
I8G
表記:2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
組成式:C12 H14 F N O2
SMILES:O=C(COc1ccc(F)cc1)N1CCCC1
InChi:InChI=1S/C12H14FNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:2-(4-fluorophenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
I8J
I8J
表記:5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
組成式:C9 H14 F N O2 S
SMILES:FC=1CN(CCC=1)S(=O)(=O)C1(C)CC1
InChi:InChI=1S/C9H14FNO2S/c1-9(4-5-9)14(12,13)11-6-2-3-8(10)7-11/h3H,2,4-7H2,1H3
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:5-fluoro-1-(1-methylcyclopropane-1-sulfonyl)-1,2,3,6-tetrahydropyridine
I8M
I8M
表記:2-[(morpholin-4-yl)methyl]phenol
組成式:C11 H15 N O2
SMILES:Oc1ccccc1CN1CCOCC1
InChi:InChI=1S/C11H15NO2/c13-11-4-2-1-3-10(11)9-12-5-7-14-8-6-12/h1-4,13H,5-9H2
定義日:2022-01-21
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:2-[(morpholin-4-yl)methyl]phenol
B7L
B7L
表記:2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
組成式:C17 H12 N4 O4
SMILES:O=C(O)c1cccc2cc(CNC(=O)c3cnn4cccnc43)oc12
InChi:InChI=1S/C17H12N4O4/c22-16(13-9-20-21-6-2-5-18-15(13)21)19-8-11-7-10-3-1-4-12(17(23)24)14(10)25-11/h1-7,9H,8H2,(H,19,22)(H,23,24)
定義日:2021-11-12
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:2-({[(8R)-pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}methyl)-1-benzofuran-7-carboxylic acid
GUU
GUU
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
組成式:C19 H27 N5 O5 S
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(C)(=O)=O
InChi:InChI=1S/C19H27N5O5S/c1-3-14-17(18(20)23-19(21)22-14)29-12-6-11-28-15-8-5-4-7-13(15)9-10-16(25)24-30(2,26)27/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(methanesulfonyl)propanamide
GWL
GWL
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
組成式:C18 H25 N5 O3
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(N)=O
InChi:InChI=1S/C18H25N5O3/c1-2-13-16(17(20)23-18(21)22-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(19)24/h3-4,6-7H,2,5,8-11H2,1H3,(H2,19,24)(H4,20,21,22,23)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanamide
GXC
GXC
表記:N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
組成式:C19 H27 N5 O5 S
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)NC(C)=O
InChi:InChI=1S/C19H27N5O5S/c1-3-15-17(18(20)23-19(21)22-15)29-11-6-10-28-16-8-5-4-7-14(16)9-12-30(26,27)24-13(2)25/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,24,25)(H4,20,21,22,23)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:N-[2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)ethanesulfonyl]acetamide
GXJ
GXJ
表記:(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
組成式:C19 H26 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CC(C)C(=O)O
InChi:InChI=1S/C19H26N4O4/c1-3-14-16(17(20)23-19(21)22-14)27-10-6-9-26-15-8-5-4-7-13(15)11-12(2)18(24)25/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,24,25)(H4,20,21,22,23)/t12-/m1/s1
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanoic acid
GYI
GYI
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide
組成式:C21 H31 N5 O5 S
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)C(C)C
InChi:InChI=1S/C21H31N5O5S/c1-4-16-19(20(22)25-21(23)24-16)31-13-7-12-30-17-9-6-5-8-15(17)10-11-18(27)26-32(28,29)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H,26,27)(H4,22,23,24,25)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(propane-2-sulfonyl)propanamide
H03
H03
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide
組成式:C20 H30 N6 O5 S
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)NS(=O)(=O)N(C)C
InChi:InChI=1S/C20H30N6O5S/c1-4-15-18(19(21)24-20(22)23-15)31-13-7-12-30-16-9-6-5-8-14(16)10-11-17(27)25-32(28,29)26(2)3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,25,27)(H4,21,22,23,24)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N-(dimethylsulfamoyl)propanamide
H0I
H0I
表記:4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
組成式:C20 H28 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCCOc1cc(CCCC(=O)O)ccc1
InChi:InChI=1S/C20H28N4O4/c1-2-16-18(19(21)24-20(22)23-16)28-12-4-3-11-27-15-9-5-7-14(13-15)8-6-10-17(25)26/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H,25,26)(H4,21,22,23,24)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:4-(3-{4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]butoxy}phenyl)butanoic acid
H4U
H4U
表記:6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
組成式:C20 H28 N8 O2
SMILES:CCc1nc(N)nc(N)c1OCCCCOc1cccc(CCCc2nnn[NH]2)c1
InChi:InChI=1S/C20H28N8O2/c1-2-16-18(19(21)24-20(22)23-16)30-12-4-3-11-29-15-9-5-7-14(13-15)8-6-10-17-25-27-28-26-17/h5,7,9,13H,2-4,6,8,10-12H2,1H3,(H4,21,22,23,24)(H,25,26,27,28)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:6-ethyl-5-(4-{3-[3-(1H-tetrazol-5-yl)propyl]phenoxy}butoxy)pyrimidine-2,4-diamine
H6O
H6O
表記:(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
組成式:C19 H28 N4 O4
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(O)CO
InChi:InChI=1S/C19H28N4O4/c1-2-15-17(18(20)23-19(21)22-15)27-11-5-10-26-16-7-4-3-6-13(16)8-9-14(25)12-24/h3-4,6-7,14,24-25H,2,5,8-12H2,1H3,(H4,20,21,22,23)/t14-/m0/s1
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2S)-4-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)butane-1,2-diol
5Z9
5Z9
表記:(2R)-2-methyl-2-oxidanyl-butanenitrile
組成式:C5 H9 N O
SMILES:CC[C](C)(O)C#N
InChi:InChI=1S/C5H9NO/c1-3-5(2,7)4-6/h7H,3H2,1-2H3/t5-/m1/s1
定義日:2021-09-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2~{R})-2-methyl-2-oxidanyl-butanenitrile
HVF
HVF
表記:Equisetin
組成式:C22 H31 N O4
SMILES:CC=C[CH]1C=C[CH]2C[CH](C)CC[CH]2[C]1(C)C(=O)C3=C(O)[CH](CO)N(C)C3=O
InChi:InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-13(2)7-10-16(14)22(15,3)20(26)18-19(25)17(12-24)23(4)21(18)27/h5-6,8-9,13-17,24-25H,7,10-12H2,1-4H3/b6-5+/t13-,14-,15+,16-,17-,22-/m1/s1
別名:(2R)-4-[[(1S,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2H-pyrrol-5-one
定義日:2021-02-10
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:(2~{R})-4-[[(1~{S},4~{a}~{S},6~{R},8~{a}~{R})-1,6-dimethyl-2-[(~{E})-prop-1-enyl]-4~{a},5,6,7,8,8~{a}-hexahydro-2~{H}-naphthalen-1-yl]carbonyl]-2-(hydroxymethyl)-1-methyl-3-oxidanyl-2~{H}-pyrrol-5-one
HVR
HVR
表記:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol
組成式:C17 H21 N5 O3
SMILES:CCc1nc(N)nc(N)c1OCCCOc1ncccc1C#CCO
InChi:InChI=1S/C17H21N5O3/c1-2-13-14(15(18)22-17(19)21-13)24-10-5-11-25-16-12(7-4-9-23)6-3-8-20-16/h3,6,8,23H,2,5,9-11H2,1H3,(H4,18,19,21,22)
定義日:2022-01-03
最終更新日:2022-02-04
公開日:2022-02-09
識別子（ID）:3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}pyridin-3-yl)prop-2-yn-1-ol

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