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JS9
JS9
表記:4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
組成式:C31 H35 N5 O4
SMILES:COCC1(CC1)CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:InChI=1S/C31H35N5O4/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4/h5-12,17-19H,13-16,20-21H2,1-4H3
定義日:2023-08-09
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
K4R
K4R
表記:1H-indazole-3-carbonitrile
組成式:C8 H5 N3
SMILES:N#Cc1n[NH]c2ccccc21
InChi:InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
定義日:2023-08-10
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:1H-indazole-3-carbonitrile
K6C
K6C
表記:4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide
組成式:C26 H27 N5 O3
SMILES:CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
InChi:InChI=1S/C26H27N5O3/c1-30(2)26(32)19-7-5-18(6-8-19)13-14-31-17-24(28-29-31)20-9-11-23(27-16-20)22-15-21(33-3)10-12-25(22)34-4/h5-12,15-17H,13-14H2,1-4H3
定義日:2023-08-10
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide
K6U
K6U
表記:(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole
組成式:C9 H8 N2 O2
SMILES:COc1ccccc1c1nnco1
InChi:InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3
定義日:2023-08-10
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole
9UU
9UU
表記:1-(4-hydroxyphenyl)pyrrole-2,5-dione
組成式:C10 H7 N O3
SMILES:Oc1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
定義日:2023-04-28
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:1-(4-hydroxyphenyl)pyrrole-2,5-dione
QU0
QU0
表記:N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide
組成式:C25 H34 N4 O4 S
SMILES:CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1
InChi:InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1
定義日:2023-08-21
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide
TF9
TF9
表記:1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
組成式:C15 H20 N2 O4 S
SMILES:CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2
InChi:InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
別名:acetohexamide
定義日:2023-04-21
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea
TN0
TN0
表記:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
組成式:C17 H14 N2 O3 S
SMILES:COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3
InChi:InChI=1S/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)/b15-10-
定義日:2023-01-12
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
TNO
TNO
表記:(5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
組成式:C11 H9 N O4 S
SMILES:COc1cc(ccc1O)C=C2SC(=O)NC2=O
InChi:InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5-
定義日:2023-01-12
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione
TO6
TO6
表記:5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile
組成式:C14 H11 N5 O2
SMILES:COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N
InChi:InChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+
定義日:2023-01-12
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:3-azanyl-5-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1~{H}-pyrazole-4-carbonitrile
TQR
TQR
表記:4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one
組成式:C9 H13 N3 O4 S
SMILES:NC1=NC(=O)N(C=C1)[CH]2S[CH](CO)[CH](O)[CH]2O
InChi:InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1
定義日:2023-04-29
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one
GV3
GV3
表記:5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine
組成式:C20 H26 N8 O3 S
SMILES:N=C(Nc1ccccc1)NCCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C20H26N8O3S/c21-17-14-18(25-10-24-17)28(11-26-14)19-16(30)15(29)13(31-19)9-32-8-4-7-23-20(22)27-12-5-2-1-3-6-12/h1-3,5-6,10-11,13,15-16,19,29-30H,4,7-9H2,(H2,21,24,25)(H3,22,23,27)/t13-,15-,16-,19-/m1/s1
定義日:2023-05-01
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:5'-S-[3-(N'-phenylcarbamimidamido)propyl]-5'-thioadenosine
GWU
GWU
表記:5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine
組成式:C23 H33 N9 O4
SMILES:NCCCN(CCNC(=O)NCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:InChI=1S/C23H33N9O4/c24-7-4-9-31(10-8-26-23(35)27-11-15-5-2-1-3-6-15)12-16-18(33)19(34)22(36-16)32-14-30-17-20(25)28-13-29-21(17)32/h1-3,5-6,13-14,16,18-19,22,33-34H,4,7-12,24H2,(H2,25,28,29)(H2,26,27,35)/t16-,18-,19-,22-/m1/s1
定義日:2023-05-01
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:5'-{(3-aminopropyl)[2-(benzylcarbamamido)ethyl]amino}-5'-deoxyadenosine
A1AM8
A1AM8
表記:methyl 3-aminopyridine-4-carboxylate
組成式:C7 H8 N2 O2
SMILES:Nc1cnccc1C(=O)OC
InChi:InChI=1S/C7H8N2O2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,8H2,1H3
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:methyl 3-aminopyridine-4-carboxylate
A1AM9
A1AM9
表記:(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
組成式:C11 H12 F N O2
SMILES:CN1CCC(Oc2cc(F)ccc2)C1=O
InChi:InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3/t10-/m1/s1
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(3R)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
A1AMY
A1AMY
表記:N-[(2-fluorophenyl)methyl]oxan-4-amine
組成式:C12 H16 F N O
SMILES:Fc1ccccc1CNC1CCOCC1
InChi:InChI=1S/C12H16FNO/c13-12-4-2-1-3-10(12)9-14-11-5-7-15-8-6-11/h1-4,11,14H,5-9H2
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:N-[(2-fluorophenyl)methyl]oxan-4-amine
A1AMZ
A1AMZ
表記:(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
組成式:C6 H6 N4 O2 S
SMILES:NS(=O)(=O)c1cnc2cccnn12
InChi:InChI=1S/C6H6N4O2S/c7-13(11,12)6-4-8-5-2-1-3-9-10(5)6/h1-4H,(H2,7,11,12)
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(4R)-imidazo[1,2-b]pyridazine-3-sulfonamide
A1ANA
A1ANA
表記:4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
組成式:C9 H14 N4 O
SMILES:Nc1cn(C)nc1C(=O)NC1CCC1
InChi:InChI=1S/C9H14N4O/c1-13-5-7(10)8(12-13)9(14)11-6-3-2-4-6/h5-6H,2-4,10H2,1H3,(H,11,14)
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide
A1ANB
A1ANB
表記:2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
組成式:C11 H15 N O2
SMILES:O=C(Nc1c(C)cc(C)cc1C)CO
InChi:InChI=1S/C11H15NO2/c1-7-4-8(2)11(9(3)5-7)12-10(14)6-13/h4-5,13H,6H2,1-3H3,(H,12,14)
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:2-hydroxy-N-(2,4,6-trimethylphenyl)acetamide
A1ANE
A1ANE
表記:5-phenyl-1,3,4-oxadiazol-2-ol
組成式:C8 H6 N2 O2
SMILES:Oc1nnc(o1)c1ccccc1
InChi:InChI=1S/C8H6N2O2/c11-8-10-9-7(12-8)6-4-2-1-3-5-6/h1-5H,(H,10,11)
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:5-phenyl-1,3,4-oxadiazol-2-ol
A1ANF
A1ANF
表記:1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one
組成式:C12 H14 Cl N O
SMILES:O=C(CN1CCCC1)c1ccccc1Cl
InChi:InChI=1S/C12H14ClNO/c13-11-6-2-1-5-10(11)12(15)9-14-7-3-4-8-14/h1-2,5-6H,3-4,7-9H2
定義日:2024-04-15
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one
A1D64
A1D64
表記:(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid
組成式:C9 H12 N2 O2 S
SMILES:N[CH](CSc1ccc(N)cc1)C(O)=O
InChi:InChI=1S/C9H12N2O2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)/t8-/m0/s1
別名:S-(4-aminophenyl)cysteine
定義日:2024-03-27
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:(2~{R})-3-(4-aminophenyl)sulfanyl-2-azanyl-propanoic acid
A1H2Y
A1H2Y
表記:N-[(2S)-1-(azetidin-1-yl)propan-2-yl]-3-{2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl}-1-methyl-1H-pyrazole-5-carboxamide
組成式:C23 H29 N7 O3
SMILES:COc1cc(Nc2nccc(n2)c3cc(n(C)n3)C(=O)N[CH](C)CN4CCC4)cc(OC)c1
InChi:InChI=1S/C23H29N7O3/c1-15(14-30-8-5-9-30)25-22(31)21-13-20(28-29(21)2)19-6-7-24-23(27-19)26-16-10-17(32-3)12-18(11-16)33-4/h6-7,10-13,15H,5,8-9,14H2,1-4H3,(H,25,31)(H,24,26,27)/t15-/m0/s1
別名:~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide
定義日:2024-01-24
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:~{N}-[(2~{S})-1-(azetidin-1-yl)propan-2-yl]-5-[2-[(3,5-dimethoxyphenyl)amino]pyrimidin-4-yl]-2-methyl-pyrazole-3-carboxamide
A1AAR
A1AAR
表記:N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
組成式:C20 H24 N4 O3
SMILES:CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1
InChi:InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1
定義日:2023-12-30
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide
A1AAU
A1AAU
表記:5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide
組成式:C20 H22 N4 O3
SMILES:CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(cnc1)C(N)=O
InChi:InChI=1S/C20H22N4O3/c1-13-7-8-17(14-5-3-2-4-6-14)24(12-13)20(27)19(26)23-16-9-15(18(21)25)10-22-11-16/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,21,25)(H,23,26)/t13-,17+/m0/s1
定義日:2023-12-31
最終更新日:2024-04-19
公開日:2024-04-24
識別子（ID）:5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide

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件を2024-09-11に公開中

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