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CWM
CWM
表記:2-methyl-1H-benzimidazol-7-ol
組成式:C8 H8 N2 O
SMILES:c1c(O)c2nc(C)nc2cc1
InChi:InChI=1S/C8H8N2O/c1-5-9-6-3-2-4-7(11)8(6)10-5/h2-4,11H,1H3,(H,9,10)
定義日:2017-10-05
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:2-methyl-1H-benzimidazol-7-ol
CWP
CWP
表記:N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine
組成式:C13 H16 N6
SMILES:c1(nc2c(n1)ccc(C)n2)NCc3cc(C)nn3C
InChi:InChI=1S/C13H16N6/c1-8-4-5-11-12(15-8)17-13(16-11)14-7-10-6-9(2)18-19(10)3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)
定義日:2017-10-05
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:N-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-amine
8GE
8GE
表記:4-(1~{H}-indol-2-yl)benzenesulfonamide
組成式:C14 H12 N2 O2 S
SMILES:N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2
InChi:InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
定義日:2017-02-06
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:4-(1~{H}-indol-2-yl)benzenesulfonamide
8GH
8GH
表記:4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
組成式:C16 H15 N3 O2 S
SMILES:N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
InChi:InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
定義日:2017-02-06
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
8HE
8HE
表記:4-(4-cyanophenyl)benzenesulfonamide
組成式:C13 H10 N2 O2 S
SMILES:N[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)C#N
InChi:InChI=1S/C13H10N2O2S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8H,(H2,15,16,17)
定義日:2017-02-07
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:4-(4-cyanophenyl)benzenesulfonamide
8HK
8HK
表記:4-pyridin-3-ylbenzenesulfonamide
組成式:C11 H10 N2 O2 S
SMILES:N[S](=O)(=O)c1ccc(cc1)c2cccnc2
InChi:InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
定義日:2017-02-07
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:4-pyridin-3-ylbenzenesulfonamide
AFM
AFM
表記:2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide
組成式:C24 H25 F N6 O2
SMILES:c4(OCC1C(CCNC1)c2ccc(c(c2)C(NCc3nncc3)=O)F)cc5c(cc4)nnc5
InChi:InChI=1S/C24H25FN6O2/c25-22-3-1-15(10-21(22)24(32)27-13-18-5-8-28-30-18)20-6-7-26-11-17(20)14-33-19-2-4-23-16(9-19)12-29-31-23/h1-5,8-10,12,17,20,26H,6-7,11,13-14H2,(H,27,32)(H,28,30)(H,29,31)/t17-,20-/m0/s1
定義日:2017-07-16
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(1H-pyrazol-3-yl)methyl]benzamide
AFV
AFV
表記:2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide
組成式:C26 H26 F N5 O2
SMILES:c1(c(cc(cc1)C4C(COc3cc2c(nnc2)cc3)CNCC4)C(=O)NCc5ncccc5)F
InChi:InChI=1S/C26H26FN5O2/c27-24-6-4-17(12-23(24)26(33)30-15-20-3-1-2-9-29-20)22-8-10-28-13-19(22)16-34-21-5-7-25-18(11-21)14-31-32-25/h1-7,9,11-12,14,19,22,28H,8,10,13,15-16H2,(H,30,33)(H,31,32)/t19-,22-/m0/s1
定義日:2017-07-16
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:2-fluoro-5-[(3S,4R)-3-{[(1H-indazol-5-yl)oxy]methyl}piperidin-4-yl]-N-[(pyridin-2-yl)methyl]benzamide
AOJ
AOJ
表記:(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
組成式:C12 H9 F N2 O2
SMILES:N1C(=O)CC(C1=O)c3cnc2c3cc(cc2)F
InChi:InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1
定義日:2017-07-20
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:(3R)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
60L
60L
表記:~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
組成式:C12 H13 N S
SMILES:CNCc1cccc(c1)c2sccc2
InChi:InChI=1S/C12H13NS/c1-13-9-10-4-2-5-11(8-10)12-6-3-7-14-12/h2-8,13H,9H2,1H3
定義日:2016-01-10
最終更新日:2017-12-22
公開日:2017-12-27
識別子（ID）:~{N}-methyl-1-(3-thiophen-2-ylphenyl)methanamine
WZO
WZO
表記:[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
組成式:C12 H21 N5 O13 P3 S
SMILES:CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N
InChi:InChI=1S/C12H20N5O13P3S/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1
定義日:2016-10-28
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(sulfanyl)phosphoryl] hydrogen phosphate
YDZ
YDZ
表記:[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
組成式:C22 H32 N10 O16 P3 S
SMILES:CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)O[CH]1n5c[n+](C)c6c(O)nc(N)nc56
InChi:InChI=1S/C22H31N10O16P3S/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)21-15(42-2)13(34)9(46-21)4-44-50(39,40)48-51(41,52)47-49(37,38)43-3-8-12(33)14(35)20(45-8)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H7-,23,24,25,26,28,29,36,37,38,39,40,41,52)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,51+/m1/s1
定義日:2016-11-11
最終更新日:2017-12-15
公開日:2017-12-20
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]oxy-sulfanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanyl-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl hydrogen phosphate
XGH
XGH
表記:2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
組成式:C23 H23 F7 N2 O5 S2
SMILES:FC(F)(F)C(c1ccc2c(c1)SC(CN2S(=O)(=O)c3ccc(cc3)F)CC(NCC(C)(C)O)=O)(O)C(F)(F)F
InChi:InChI=1S/C23H23F7N2O5S2/c1-20(2,34)12-31-19(33)10-15-11-32(39(36,37)16-6-4-14(24)5-7-16)17-8-3-13(9-18(17)38-15)21(35,22(25,26)27)23(28,29)30/h3-9,15,34-35H,10-12H2,1-2H3,(H,31,33)/t15-/m0/s1
定義日:2017-11-17
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
WE0
WE0
表記:(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
組成式:C28 H35 N3 O7
SMILES:CC(C)[CH](NC(=O)c1ccc2ccccc2c1)C(=O)N3C4CCC(O)(CC4)[CH]3C(=O)N[CH](CO)CC(O)=O
InChi:InChI=1S/C28H35N3O7/c1-16(2)23(30-25(35)19-8-7-17-5-3-4-6-18(17)13-19)27(37)31-21-9-11-28(38,12-10-21)24(31)26(36)29-20(15-32)14-22(33)34/h3-8,13,16,20-21,23-24,32,38H,9-12,14-15H2,1-2H3,(H,29,36)(H,30,35)(H,33,34)/t20-,21-,23-,24+,28-/m0/s1
定義日:2016-12-12
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:(3~{S})-3-[[(3~{S})-2-[(2~{S})-3-methyl-2-(naphthalen-2-ylcarbonylamino)butanoyl]-4-oxidanyl-2-azabicyclo[2.2.2]octan-3-yl]carbonylamino]-4-oxidanyl-butanoic acid
P2L
P2L
表記:4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
組成式:C11 H17 Cl N4 O
SMILES:CN1CCC[CH](C1)NC2=C(Cl)C(=O)N(C)N=C2
InChi:InChI=1S/C11H17ClN4O/c1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h6,8,14H,3-5,7H2,1-2H3/t8-/m1/s1
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
PK6
PK6
表記:N-methyl-2-thiophenesulfonamide
組成式:C5 H7 N O2 S2
SMILES:CN[S](=O)(=O)c1sccc1
InChi:InChI=1S/C5H7NO2S2/c1-6-10(7,8)5-3-2-4-9-5/h2-4,6H,1H3
定義日:2016-11-07
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:~{N}-methylthiophene-2-sulfonamide
RNK
RNK
表記:4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
組成式:C11 H12 Cl N3 O S
SMILES:CN1N=CC(=C(Cl)C1=O)NCc2sccc2C
InChi:InChI=1S/C11H12ClN3OS/c1-7-3-4-17-9(7)6-13-8-5-14-15(2)11(16)10(8)12/h3-5,13H,6H2,1-2H3
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-[(3-methylthiophen-2-yl)methylamino]pyridazin-3-one
82I
82I
表記:4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
組成式:C6 H8 Cl N3 O
SMILES:CNC1=C(Cl)C(=O)N(C)N=C1
InChi:InChI=1S/C6H8ClN3O/c1-8-4-3-9-10(2)6(11)5(4)7/h3,8H,1-2H3
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one
84F
84F
表記:(3S,4R)-4-(3-hydroxy-4-methoxyphenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
組成式:C20 H23 N O6
SMILES:COc1ccc(cc1O)[CH]2[CH](C)C(=O)N2c3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C20H23NO6/c1-11-18(12-6-7-15(24-2)14(22)8-12)21(20(11)23)13-9-16(25-3)19(27-5)17(10-13)26-4/h6-11,18,22H,1-5H3/t11-,18+/m0/s1
定義日:2017-04-13
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:(3~{S},4~{R})-4-(4-methoxy-3-oxidanyl-phenyl)-3-methyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one
856
856
表記:O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate
組成式:C11 H12 O5
SMILES:COC(=O)c1ccc(cc1)C(=O)OCCO
InChi:InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
定義日:2017-04-19
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate
I0D
I0D
表記:4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
組成式:C15 H17 Cl N4 O
SMILES:CN1CCc2c(C1)cccc2NC3=C(Cl)C(=O)N(C)N=C3
InChi:InChI=1S/C15H17ClN4O/c1-19-7-6-11-10(9-19)4-3-5-12(11)18-13-8-17-20(2)15(21)14(13)16/h3-5,8,18H,6-7,9H2,1-2H3
定義日:2016-12-06
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:4-chloranyl-2-methyl-5-[(2-methyl-3,4-dihydro-1~{H}-isoquinolin-5-yl)amino]pyridazin-3-one
IGF
IGF
表記:N,2,5-trimethyl-3-thiophenesulfonamide
組成式:C7 H11 N O2 S2
SMILES:CN[S](=O)(=O)c1cc(C)sc1C
InChi:InChI=1S/C7H11NO2S2/c1-5-4-7(6(2)11-5)12(9,10)8-3/h4,8H,1-3H3
定義日:2016-11-07
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:~{N},2,5-trimethylthiophene-3-sulfonamide
7K8
7K8
表記:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
組成式:C9 H16 N3 O8 P
SMILES:ON=C1CCN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
InChi:InChI=1S/C9H16N3O8P/c13-5-3-8(20-6(5)4-19-21(16,17)18)12-2-1-7(11-15)10-9(12)14/h5-6,8,13,15H,1-4H2,(H,10,11,14)(H2,16,17,18)/t5-,6+,8+/m0/s1
定義日:2016-11-03
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[(2~{R},3~{S},5~{R})-5-[(4~{E})-4-hydroxyimino-2-oxidanylidene-1,3-diazinan-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
7KT
7KT
表記:~{N},2,4,6-tetramethylbenzenesulfonamide
組成式:C10 H15 N O2 S
SMILES:CN[S](=O)(=O)c1c(C)cc(C)cc1C
InChi:InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3
定義日:2016-11-07
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:~{N},2,4,6-tetramethylbenzenesulfonamide
7L2
7L2
表記:[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
組成式:C24 H34 N10 O17 P3 S
SMILES:C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](S)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N=C(N)Nc45)[CH]6OC(C)(C)O[CH]26)c7N=C(N)NC(=O)c17
InChi:InChI=1S/C24H33N10O17P3S/c1-24(2)48-14-9(47-21(15(14)49-24)34-7-32(3)11-17(34)29-23(26)31-19(11)38)5-45-53(41,42)51-54(43,55)50-52(39,40)44-4-8-12(35)13(36)20(46-8)33-6-27-10-16(33)28-22(25)30-18(10)37/h6-9,12-15,20-21,35-36H,4-5H2,1-3H3,(H8-,25,26,28,29,30,31,37,38,39,40,41,42,43,55)/p+1/t8-,9-,12-,13-,14-,15-,20-,21-,54+/m1/s1
定義日:2016-11-08
最終更新日:2017-12-15
公開日:2017-12-20
識別子（ID）:[[[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

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件を2024-07-31に公開中

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