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DC
DC
表記:2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
組成式:C9 H14 N3 O7 P
SMILES:O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
定義日:2001-06-01
最終更新日:2025-06-10
識別子（ID）:2'-deoxy-5'-cytidylic acid
A1AYV
A1AYV
表記:2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
組成式:C7 H6 N2 O4 S
SMILES:NS(=O)(=O)c1ccc2NC(=O)Oc2c1
InChi:InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-5-6(3-4)13-7(10)9-5/h1-3H,(H,9,10)(H2,8,11,12)
定義日:2024-07-11
最終更新日:2025-06-09
公開日:2025-03-26
識別子（ID）:2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CYZ
CYZ
表記:CYCLOTHIAZIDE
組成式:C14 H16 Cl N3 O4 S2
SMILES:O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NC(N2)C4C3C=CC(C3)C4)N
InChi:InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9-,14-/m0/s1
別名:3-BICYCLO[2.2.1]HEPT-5-EN-2-YL-6-CHLORO-3,4- DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-7-SULFONAMIDE 1,1 DIOXIDE
定義日:2002-04-08
最終更新日:2025-06-09
識別子（ID）:(3S)-3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
Y7Q
Y7Q
表記:~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide
組成式:C30 H38 N4 O2 S
SMILES:Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)c(CCCCCCCN)nc3c2
InChi:InChI=1S/C30H38N4O2S/c1-22-18-23(2)30(24(3)19-22)37(35,36)33-26-15-16-28-27(20-26)32-29(14-10-5-4-6-11-17-31)34(28)21-25-12-8-7-9-13-25/h7-9,12-13,15-16,18-20,33H,4-6,10-11,14,17,21,31H2,1-3H3
定義日:2023-11-28
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:~{N}-[2-(7-azanylheptyl)-1-(phenylmethyl)benzimidazol-5-yl]-2,4,6-trimethyl-benzenesulfonamide
Y8B
Y8B
表記:2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide
組成式:C23 H23 N3 O2 S
SMILES:Cc1cc(C)c(c(C)c1)[S](=O)(=O)Nc2ccc3n(Cc4ccccc4)cnc3c2
InChi:InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3
定義日:2023-11-28
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:2,4,6-trimethyl-~{N}-[1-(phenylmethyl)benzimidazol-5-yl]benzenesulfonamide
DISEP
DISEP
表記:DIPHOSPHOSERINE
組成式:C3 H9 N O9 P2
SMILES:N[CH](CO[P](O)(=O)O[P](O)(O)=O)C(O)=O
InChi:InChI=1S/C3H9NO9P2/c4-2(3(5)6)1-12-15(10,11)13-14(7,8)9/h2H,1,4H2,(H,5,6)(H,10,11)(H2,7,8,9)/t2-/m0/s1
別名:2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid
定義日:2024-01-22
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:2-azanyl-3-[oxidanyl(phosphonooxy)phosphoryl]oxy-propanoic acid
A1BAY
A1BAY
表記:2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
組成式:C15 H22 N4 O
SMILES:CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12
InChi:InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m1/s1
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:2-[(2R)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
A1BAZ
A1BAZ
表記:2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
組成式:C15 H22 N4 O
SMILES:CC(C)(O)C1N(CCC1(C)C)c1ncnc2[NH]ccc12
InChi:InChI=1S/C15H22N4O/c1-14(2)6-8-19(13(14)15(3,4)20)12-10-5-7-16-11(10)17-9-18-12/h5,7,9,13,20H,6,8H2,1-4H3,(H,16,17,18)/t13-/m0/s1
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:2-[(2S)-3,3-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol
A1BBQ
A1BBQ
表記:4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
組成式:C13 H18 N4 O2
SMILES:OC1(CN(C)c2ncnc3[NH]ccc32)CCOCC1
InChi:InChI=1S/C13H18N4O2/c1-17(8-13(18)3-6-19-7-4-13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9,18H,3-4,6-8H2,1H3,(H,14,15,16)
定義日:2024-10-01
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:4-{[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
A1BBR
A1BBR
表記:[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
組成式:C14 H20 N4 O
SMILES:OCC1CC(C)(C)CCN1c1ncnc2[NH]ccc12
InChi:InChI=1S/C14H20N4O/c1-14(2)4-6-18(10(7-14)8-19)13-11-3-5-15-12(11)16-9-17-13/h3,5,9-10,19H,4,6-8H2,1-2H3,(H,15,16,17)/t10-/m0/s1
定義日:2024-10-01
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:[(2S)-4,4-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
A1BBU
A1BBU
表記:4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
組成式:C14 H20 N4
SMILES:CC(C)(C)C1CCCN1c1ncnc2[NH]ccc12
InChi:InChI=1S/C14H20N4/c1-14(2,3)11-5-4-8-18(11)13-10-6-7-15-12(10)16-9-17-13/h6-7,9,11H,4-5,8H2,1-3H3,(H,15,16,17)/t11-/m1/s1
定義日:2024-10-01
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:4-[(2R)-2-tert-butylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
A1BBY
A1BBY
表記:(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
組成式:C10 H14 N4 O
SMILES:CC(O)C(C)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7+/m1/s1
定義日:2024-10-01
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(2S,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
A1BBZ
A1BBZ
表記:(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
組成式:C10 H14 N4 O
SMILES:CC(O)C(C)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C10H14N4O/c1-6(7(2)15)14-10-8-3-4-11-9(8)12-5-13-10/h3-7,15H,1-2H3,(H2,11,12,13,14)/t6-,7-/m1/s1
定義日:2024-10-01
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(2R,3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-2-ol
A1BCE
A1BCE
表記:(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
組成式:C13 H18 N4 O2
SMILES:OC1CCC(O)(CC1)CNc1ncnc2[NH]ccc21
InChi:InChI=1S/C13H18N4O2/c18-9-1-4-13(19,5-2-9)7-15-12-10-3-6-14-11(10)16-8-17-12/h3,6,8-9,18-19H,1-2,4-5,7H2,(H2,14,15,16,17)/t9-,13-
定義日:2024-10-03
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(1r,4r)-1-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
A1BLY
A1BLY
表記:nonadecafluorodecanoic acid
組成式:C10 H F19 O2
SMILES:FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)
定義日:2024-12-17
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:nonadecafluorodecanoic acid
A1BM9
A1BM9
表記:hentriacontafluorohexadecanoic acid
組成式:C16 H F31 O2
SMILES:FC(F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChi:InChI=1S/C16HF31O2/c17-2(18,1(48)49)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h(H,48,49)
定義日:2025-01-02
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:hentriacontafluorohexadecanoic acid
A1BAA
A1BAA
表記:2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
組成式:C12 H18 N4 O
SMILES:CCC(CC)(CO)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C12H18N4O/c1-3-12(4-2,7-17)16-11-9-5-6-13-10(9)14-8-15-11/h5-6,8,17H,3-4,7H2,1-2H3,(H2,13,14,15,16)
定義日:2024-09-24
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:2-ethyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
A1BAB
A1BAB
表記:(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
組成式:C17 H18 N4 O
SMILES:OCC(Nc1ncnc2[NH]ccc21)C1CCc2ccccc21
InChi:InChI=1S/C17H18N4O/c22-9-15(13-6-5-11-3-1-2-4-12(11)13)21-17-14-7-8-18-16(14)19-10-20-17/h1-4,7-8,10,13,15,22H,5-6,9H2,(H2,18,19,20,21)/t13-,15+/m1/s1
定義日:2024-09-24
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(2R)-2-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]ethan-1-ol
A1BAE
A1BAE
表記:(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
組成式:C14 H15 N5 O
SMILES:OCC(Cc1ccccn1)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C14H15N5O/c20-8-11(7-10-3-1-2-5-15-10)19-14-12-4-6-16-13(12)17-9-18-14/h1-6,9,11,20H,7-8H2,(H2,16,17,18,19)/t11-/m0/s1
定義日:2024-09-24
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(2S)-3-(pyridin-2-yl)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
A1BAQ
A1BAQ
表記:[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
組成式:C13 H18 N4 O
SMILES:OCC1CC(C)CCN1c1ncnc2[NH]ccc12
InChi:InChI=1S/C13H18N4O/c1-9-3-5-17(10(6-9)7-18)13-11-2-4-14-12(11)15-8-16-13/h2,4,8-10,18H,3,5-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:[(2R,4S)-4-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
A1BAR
A1BAR
表記:[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
組成式:C13 H18 N4 O
SMILES:OCC1CCC(C)CN1c1ncnc2[NH]ccc12
InChi:InChI=1S/C13H18N4O/c1-9-2-3-10(7-18)17(6-9)13-11-4-5-14-12(11)15-8-16-13/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,14,15,16)/t9-,10+/m0/s1
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:[(2R,5S)-5-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
A1BAU
A1BAU
表記:(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
組成式:C14 H20 N4 O2
SMILES:OC1CCC(O)(CC1)CNc1ncnc2[NH]cc(C)c21
InChi:InChI=1S/C14H20N4O2/c1-9-6-15-12-11(9)13(18-8-17-12)16-7-14(20)4-2-10(19)3-5-14/h6,8,10,19-20H,2-5,7H2,1H3,(H2,15,16,17,18)/t10-,14-
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(1r,4r)-1-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}cyclohexane-1,4-diol
A1BAV
A1BAV
表記:4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
組成式:C13 H18 N4 O2
SMILES:OC1(CNc2ncnc3[NH]cc(C)c32)CCOCC1
InChi:InChI=1S/C13H18N4O2/c1-9-6-14-11-10(9)12(17-8-16-11)15-7-13(18)2-4-19-5-3-13/h6,8,18H,2-5,7H2,1H3,(H2,14,15,16,17)
定義日:2024-09-25
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:4-{[(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}oxan-4-ol
A1A5A
A1A5A
表記:(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
組成式:C15 H16 N4 O
SMILES:OCC(Cc1ccccc1)Nc1ncnc2[NH]ccc21
InChi:InChI=1S/C15H16N4O/c20-9-12(8-11-4-2-1-3-5-11)19-15-13-6-7-16-14(13)17-10-18-15/h1-7,10,12,20H,8-9H2,(H2,16,17,18,19)/t12-/m1/s1
定義日:2024-09-09
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:(2R)-3-phenyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
A1A5B
A1A5B
表記:3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid
組成式:C13 H9 N O5 S
SMILES:O=C(Nc1ccsc1C(=O)O)c1ccc2OCOc2c1
InChi:InChI=1S/C13H9NO5S/c15-12(14-8-3-4-20-11(8)13(16)17)7-1-2-9-10(5-7)19-6-18-9/h1-5H,6H2,(H,14,15)(H,16,17)
定義日:2024-09-09
最終更新日:2025-06-06
公開日:2025-06-11
識別子（ID）:3-[(2H-1,3-benzodioxole-5-carbonyl)amino]thiophene-2-carboxylic acid

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