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A1BMV
A1BMV
表記:[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
組成式:C11 H15 N3 O
SMILES:CC1CCCCN1C(=O)c1cnccn1
InChi:InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m1/s1
定義日:2024-12-23
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:[(2R)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone
A1BMW
A1BMW
表記:3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide
組成式:C10 H14 N2 O3
SMILES:O=C(NCC1CCOC1)c1cc(C)no1
InChi:InChI=1S/C10H14N2O3/c1-7-4-9(15-12-7)10(13)11-5-8-2-3-14-6-8/h4,8H,2-3,5-6H2,1H3,(H,11,13)/t8-/m0/s1
定義日:2024-12-23
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:3-methyl-N-{[(3S)-oxolan-3-yl]methyl}-1,2-oxazole-5-carboxamide
A1BNE
A1BNE
表記:1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
組成式:C10 H13 N O2
SMILES:CNCC1COc2ccccc2O1
InChi:InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3/t8-/m1/s1
定義日:2025-01-02
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:1-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-N-methylmethanamine
A1BUA
A1BUA
表記:N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
組成式:C14 H20 N2 O2
SMILES:Cc1onc(C)c1C(=O)NCCC1=CCCCC1
InChi:InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)
定義日:2025-01-22
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
A1BW7
A1BW7
表記:4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
組成式:C27 H26 N6 O
SMILES:Cc1nccn1Cc1cc2c(CCc3c2nnn3Cc2ccc(C#N)c(OC)c2)c(c1)C1CC1
InChi:InChI=1S/C27H26N6O/c1-17-29-9-10-32(17)15-19-11-23(20-5-6-20)22-7-8-25-27(24(22)12-19)30-31-33(25)16-18-3-4-21(14-28)26(13-18)34-2/h3-4,9-13,20H,5-8,15-16H2,1-2H3
定義日:2025-02-18
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:4-({6-cyclopropyl-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-3-yl}methyl)-2-methoxybenzonitrile
A1BW9
A1BW9
表記:1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
組成式:C31 H31 F N6 O2
SMILES:Fc1ccc(c(C)c1)c1cc(CN2C=CN(C)C2=N)cc2c1CCc1c2nnn1Cc1cc(OC)cc(OC)c1
InChi:InChI=1S/C31H31FN6O2/c1-19-11-22(32)5-6-25(19)27-14-21(17-37-10-9-36(2)31(37)33)15-28-26(27)7-8-29-30(28)34-35-38(29)18-20-12-23(39-3)16-24(13-20)40-4/h5-6,9-16,33H,7-8,17-18H2,1-4H3/b33-31+
定義日:2025-02-18
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:1-{[(6P)-3-[(3,5-dimethoxyphenyl)methyl]-6-(4-fluoro-2-methylphenyl)-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazol-8-yl]methyl}-3-methyl-1,3-dihydro-2H-imidazol-2-imine
A1BWA
A1BWA
表記:N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
組成式:C24 H19 F2 N5 O2 S
SMILES:CSc1nc(c2cc(NC(=O)c3c(F)cccc3F)ccc2)c([NH]1)c1ccnc(NC(C)=O)c1
InChi:InChI=1S/C24H19F2N5O2S/c1-13(32)28-19-12-15(9-10-27-19)22-21(30-24(31-22)34-2)14-5-3-6-16(11-14)29-23(33)20-17(25)7-4-8-18(20)26/h3-12H,1-2H3,(H,29,33)(H,30,31)(H,27,28,32)
定義日:2025-02-06
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:N-{(3P)-3-[(4P)-5-(2-acetamidopyridin-4-yl)-2-(methylsulfanyl)-1H-imidazol-4-yl]phenyl}-2,6-difluorobenzamide
A1BXB
A1BXB
表記:Pritelivir
組成式:C18 H18 N4 O3 S2
SMILES:Cc1nc(sc1S(N)(=O)=O)N(C)C(=O)Cc1ccc(cc1)c1ccccn1
InChi:InChI=1S/C18H18N4O3S2/c1-12-17(27(19,24)25)26-18(21-12)22(2)16(23)11-13-6-8-14(9-7-13)15-5-3-4-10-20-15/h3-10H,11H2,1-2H3,(H2,19,24,25)
別名:N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
定義日:2025-02-19
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-[4-(pyridin-2-yl)phenyl]acetamide
A1BY8
A1BY8
表記:C16 alpha-bromoamide
組成式:C27 H53 Br N3 O8 P
SMILES:O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(Br)CCCCCCCCCCCCCC
InChi:InChI=1S/C27H53BrN3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(28)25(34)31-20-19-29-23(32)17-18-30-26(35)24(33)27(2,3)21-39-40(36,37)38/h22,24,33H,4-21H2,1-3H3,(H,29,32)(H,30,35)(H,31,34)(H2,36,37,38)/t22-,24-/m0/s1
定義日:2025-03-05
最終更新日:2025-08-08
公開日:2025-08-13
識別子（ID）:N-{2-[(2S)-2-bromohexadecanamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide
FME
FME
表記:N-FORMYLMETHIONINE
組成式:C6 H11 N O3 S
SMILES:O=CNC(C(=O)O)CCSC
InChi:InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m0/s1
定義日:1999-07-08
最終更新日:2025-08-04
識別子（ID）:N-formyl-L-methionine
A1CEF
A1CEF
表記:5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
組成式:C20 H21 F3 N2 O5
SMILES:NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c1ccc(OCC2COCC(C)(C)O2)cc1
InChi:InChI=1S/C20H21F3N2O5/c1-19(2)10-28-8-13(30-19)9-29-12-5-3-11(4-6-12)14-7-15(17(24)26)18(27)25-16(14)20(21,22)23/h3-7,13H,8-10H2,1-2H3,(H2,24,26)(H,25,27)
定義日:2025-05-28
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:5-(4-{[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methoxy}phenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
A1CEM
A1CEM
表記:5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
組成式:C18 H18 F3 N3 O3
SMILES:NC(=O)C1=CC(=C(NC1=O)C(F)(F)F)c1ccc(cc1)CN1CCOCC1
InChi:InChI=1S/C18H18F3N3O3/c19-18(20,21)15-13(9-14(16(22)25)17(26)23-15)12-3-1-11(2-4-12)10-24-5-7-27-8-6-24/h1-4,9H,5-8,10H2,(H2,22,25)(H,23,26)
定義日:2025-05-29
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:5-{4-[(morpholin-4-yl)methyl]phenyl}-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide
A1CF8
A1CF8
表記:Tavaborole
組成式:C7 H6 B F O2
SMILES:OB1OCc2cc(F)ccc12
InChi:InChI=1S/C7H6BFO2/c9-6-1-2-7-5(3-6)4-11-8(7)10/h1-3,10H,4H2
別名:5-fluoro-2,1-benzoxaborol-1(3H)-ol
定義日:2025-06-10
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:5-fluoro-2,1-benzoxaborol-1(3H)-ol
A1ELK
A1ELK
表記:3-[4-[(1~{S},5~{R})-3-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluoranyl-phenyl]-4~{H}-1,2,4-oxadiazol-5-one
組成式:C28 H25 Cl2 F N4 O4
SMILES:Fc1cc(ccc1C2=NOC(=O)N2)N3[CH]4CC[CH]3C[CH](C4)OCc5c(onc5c6c(Cl)cccc6Cl)C7CC7
InChi:InChI=1S/C28H25Cl2FN4O4/c29-21-2-1-3-22(30)24(21)25-20(26(38-33-25)14-4-5-14)13-37-18-10-15-6-7-16(11-18)35(15)17-8-9-19(23(31)12-17)27-32-28(36)39-34-27/h1-3,8-9,12,14-16,18H,4-7,10-11,13H2,(H,32,34,36)/t15-,16+,18+
別名:Linafexor
定義日:2025-02-08
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:3-[4-[(1~{S},5~{R})-3-[[3-[2,6-bis(chloranyl)phenyl]-5-cyclopropyl-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-2-fluoranyl-phenyl]-4~{H}-1,2,4-oxadiazol-5-one
M70
M70
表記:(2S)-2-azanyl-3-(1-carbamimidoylpiperidin-4-yl)propanoic acid
組成式:C9 H18 N4 O2
SMILES:N[CH](CC1CCN(CC1)C(N)=N)C(O)=O
InChi:InChI=1S/C9H18N4O2/c10-7(8(14)15)5-6-1-3-13(4-2-6)9(11)12/h6-7H,1-5,10H2,(H3,11,12)(H,14,15)/t7-/m0/s1
定義日:2017-01-24
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:(2~{S})-2-azanyl-3-(1-carbamimidoylpiperidin-4-yl)propanoic acid
A1H8R
A1H8R
表記:[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methanamine
組成式:C8 H10 B N O2
SMILES:NC[CH]1O[B-](O)c2ccccc12
InChi:InChI=1S/C8H11BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8-9,11H,5,10H2/q-1/t8-,9-/m1/s1
定義日:2024-04-18
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methanamine
A1I1B
A1I1B
表記:(2~{S})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid
組成式:C31 H41 N7 O6
SMILES:CC(C)C[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccccc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](Cc3ccccc3)C=O
InChi:InChI=1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-12,18-19,22-26H,13-17H2,1-2H3,(H,34,40)(H,35,41)(H,42,43)(H3,32,33,36)(H2,37,38,44)/t22-,23-,24-,25-,26-/m0/s1
定義日:2025-02-06
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:(2~{S})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-phenyl-propan-2-yl]amino]pentan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-phenyl-propanoic acid
A1I1R
A1I1R
表記:(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
組成式:C21 H24 N8 O S
SMILES:C[CH]1CNCCN1c2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45
InChi:InChI=1S/C21H24N8OS/c1-12-11-24-8-9-29(12)20-25-7-5-14(26-20)18-27-19(30-28-18)21(2)6-3-4-15-16(21)13(10-22)17(23)31-15/h5,7,12,24H,3-4,6,8-9,11,23H2,1-2H3/t12-,21-/m0/s1
定義日:2025-02-11
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:(4~{S})-2-azanyl-4-methyl-4-[3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
A1I1Z
A1I1Z
表記:(4~{S})-2-azanyl-4-methyl-4-[3-[2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
組成式:C22 H25 N7 O2 S
SMILES:CN1CCC[CH]1COc2nccc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45
InChi:InChI=1S/C22H25N7O2S/c1-22(8-3-6-16-17(22)14(11-23)18(24)32-16)20-27-19(28-31-20)15-7-9-25-21(26-15)30-12-13-5-4-10-29(13)2/h7,9,13H,3-6,8,10,12,24H2,1-2H3/t13-,22-/m0/s1
定義日:2025-02-14
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:(4~{S})-2-azanyl-4-methyl-4-[3-[2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]pyrimidin-4-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
A1IJP
A1IJP
表記:8-azanyl-5-(2-phenylethyl)quinoline-2-carbaldehyde
組成式:C18 H16 N2 O2
SMILES:Nc1ccc(CCc2ccccc2)c3ccc(nc13)C(O)=O
InChi:InChI=1S/C18H16N2O2/c19-15-10-8-13(7-6-12-4-2-1-3-5-12)14-9-11-16(18(21)22)20-17(14)15/h1-5,8-11H,6-7,19H2,(H,21,22)
定義日:2024-08-01
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:8-azanyl-5-(2-phenylethyl)quinoline-2-carboxylic acid
A1IJQ
A1IJQ
表記:8-azanylquinoline-2-carboxylic acid
組成式:C10 H8 N2 O2
SMILES:Nc1cccc2ccc(nc12)C(O)=O
InChi:InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)
定義日:2024-08-01
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:8-azanylquinoline-2-carboxylic acid
A1L6Z
A1L6Z
表記:(4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol
組成式:C25 H40 O6
SMILES:C[CH]1CO[C]2(O)[CH](C)[CH]3CC[CH](C)[CH]3[C](O)([CH](O)[CH](C)CCc4occc4C)[C]2(O)C1
InChi:InChI=1S/C25H40O6/c1-14-12-23(27)24(28,22(26)17(4)7-9-20-15(2)10-11-30-20)21-16(3)6-8-19(21)18(5)25(23,29)31-13-14/h10-11,14,16-19,21-22,26-29H,6-9,12-13H2,1-5H3/t14-,16+,17-,18+,19+,21-,22+,23+,24+,25+/m1/s1
定義日:2024-12-19
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:(4~{a}~{S},5~{S},5~{a}~{R},6~{S},8~{a}~{R},9~{S},9~{a}~{S})-3,6,9-trimethyl-5-[(1~{S},2~{R})-2-methyl-4-(3-methylfuran-2-yl)-1-oxidanyl-butyl]-3,4,5~{a},6,7,8,8~{a},9-octahydro-2~{H}-cyclopenta[g]chromene-4~{a},5,9~{a}-triol
A1MA8
A1MA8
表記:CBL0137
組成式:C21 H24 N2 O2
SMILES:CC(C)NCCn1c2ccc(cc2c3cc(ccc13)C(C)=O)C(C)=O
InChi:InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3
別名:1-[6-ethanoyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone
定義日:2025-07-25
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:1-[6-ethanoyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone
A1MA9
A1MA9
表記:8-CF3-2'F-riboguanosine monophosphate
組成式:C11 H12 F4 N5 O7 P
SMILES:NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3F)c(nc2C(=O)N1)C(F)(F)F
InChi:InChI=1S/C11H12F4N5O7P/c12-3-5(21)2(1-26-28(23,24)25)27-8(3)20-6-4(7(22)19-10(16)18-6)17-9(20)11(13,14)15/h2-3,5,8,21H,1H2,(H2,23,24,25)(H3,16,18,19,22)/t2-,3-,5-,8-/m1/s1
別名:[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-8-(trifluoromethyl)-1~{H}-purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
定義日:2025-07-25
最終更新日:2025-08-01
公開日:2025-08-06
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R})-5-[2-azanyl-6-oxidanylidene-8-(trifluoromethyl)-1~{H}-purin-9-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
C2A
C2A
表記:1-(3-CHLOROPHENYL)METHANAMINE
組成式:C7 H8 Cl N
SMILES:Clc1cc(ccc1)CN
InChi:InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
別名:INHIBITOR OF THROMBIN
定義日:2005-12-08
最終更新日:2025-08-01
識別子（ID）:1-(3-chlorophenyl)methanamine

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件を2025-10-22に公開中

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