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YNR
YNR
表記:5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
組成式:C22 H23 Cl N4 O3
SMILES:CC(C)(C)c1cc(C#N)c(Cl)cc1OCc1ncc(n1C)c1cc(on1)C1COC1
InChi:InChI=1S/C22H23ClN4O3/c1-22(2,3)15-5-13(8-24)16(23)6-20(15)29-12-21-25-9-18(27(21)4)17-7-19(30-26-17)14-10-28-11-14/h5-7,9,14H,10-12H2,1-4H3
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:5-tert-butyl-2-chloro-4-({(5M)-1-methyl-5-[5-(oxetan-3-yl)-1,2-oxazol-3-yl]-1H-imidazol-2-yl}methoxy)benzonitrile
YAQ
YAQ
表記:(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one
組成式:C18 H20 Cl N3 O
SMILES:Clc1ccc(cc1)c1cn2c(n1)N(CCCCC)C(C)=CC2=O
InChi:InChI=1S/C18H20ClN3O/c1-3-4-5-10-21-13(2)11-17(23)22-12-16(20-18(21)22)14-6-8-15(19)9-7-14/h6-9,11-12H,3-5,10H2,1-2H3
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4S)-2-(4-chlorophenyl)-7-methyl-8-pentylimidazo[1,2-a]pyrimidin-5(8H)-one
YNX
YNX
表記:(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
組成式:C23 H20 F3 N5 O3
SMILES:FC(F)(F)Oc1ccc(cc1)/C=C/C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C23H20F3N5O3/c24-23(25,26)34-18-5-1-14(2-6-18)3-8-21(32)30-10-16-12-31(13-17(16)11-30)22(33)15-4-7-19-20(9-15)28-29-27-19/h1-9,16-17H,10-13H2,(H,27,28,29)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(2E)-1-[(3aR,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one
YAW
YAW
表記:3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide
組成式:C23 H25 F4 N7 O3 S
SMILES:NS(=O)(=O)c1ccc(c(F)c1)N1CCN(CC1)C(=O)CCc1ccc(cc1Cn1nc(C)nn1)C(F)(F)F
InChi:InChI=1S/C23H25F4N7O3S/c1-15-29-31-34(30-15)14-17-12-18(23(25,26)27)4-2-16(17)3-7-22(35)33-10-8-32(9-11-33)21-6-5-19(13-20(21)24)38(28,36)37/h2,4-6,12-13H,3,7-11,14H2,1H3,(H2,28,36,37)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-fluoro-4-[4-(3-{2-[(5-methyl-2H-tetrazol-2-yl)methyl]-4-(trifluoromethyl)phenyl}propanoyl)piperazin-1-yl]benzene-1-sulfonamide
YO2
YO2
表記:[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone
組成式:C29 H32 N6 O3
SMILES:CC(C)Oc1cc(cc2n(CC)ccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C29H32N6O3/c1-4-33-8-7-19-26(33)10-18(11-27(19)38-16(2)3)29(37)35-14-22-20-12-34(13-21(20)23(22)15-35)28(36)17-5-6-24-25(9-17)31-32-30-24/h5-11,16,20-23H,4,12-15H2,1-3H3,(H,30,31,32)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,3bS,6aR,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl]{1-ethyl-4-[(propan-2-yl)oxy]-1H-indol-6-yl}methanone
YB1
YB1
表記:1-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-1,2,3-triazol-5-yl)propan-1-one
組成式:C26 H34 N6 O4
SMILES:O=C(CCc1cnn[NH]1)N1CC2CN(CC2C1)C(=O)c1cc(OCC2CCOCC2)nc(c1)C1CC1
InChi:InChI=1S/C26H34N6O4/c33-25(4-3-22-11-27-30-29-22)31-12-20-14-32(15-21(20)13-31)26(34)19-9-23(18-1-2-18)28-24(10-19)36-16-17-5-7-35-8-6-17/h9-11,17-18,20-21H,1-8,12-16H2,(H,27,29,30)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:1-[(3aR,6aS)-5-{2-cyclopropyl-6-[(oxan-4-yl)methoxy]pyridine-4-carbonyl}hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-1,2,3-triazol-5-yl)propan-1-one
YO8
YO8
表記:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide
組成式:C20 H23 Cl N4 O4 S
SMILES:O=C(NC1CS(=O)(=O)C1)c1cnc(COc2cc(Cl)c(C#N)cc2C(C)(C)C)n1C
InChi:InChI=1S/C20H23ClN4O4S/c1-20(2,3)14-5-12(7-22)15(21)6-17(14)29-9-18-23-8-16(25(18)4)19(26)24-13-10-30(27,28)11-13/h5-6,8,13H,9-11H2,1-4H3,(H,24,26)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:2-[(2-tert-butyl-5-chloro-4-cyanophenoxy)methyl]-N-(1,1-dioxo-1lambda~6~-thietan-3-yl)-1-methyl-1H-imidazole-5-carboxamide
YB6
YB6
表記:N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide
組成式:C15 H11 F N2 O
SMILES:O=C(C)Nc1ccc(cn1)C#Cc1ccc(F)cc1
InChi:InChI=1S/C15H11FN2O/c1-11(19)18-15-9-6-13(10-17-15)3-2-12-4-7-14(16)8-5-12/h4-10H,1H3,(H,17,18,19)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-{5-[(4-fluorophenyl)ethynyl]pyridin-2-yl}acetamide
YOC
YOC
表記:[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
組成式:C23 H25 F4 N5 O3
SMILES:FC(F)(F)c1ccc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)C2CCc3[NH]nnc3C2)c(F)c1
InChi:InChI=1S/C23H25F4N5O3/c24-17-10-16(23(25,26)27)3-1-15(17)11-35-21(34)31-7-5-22(6-8-31)12-32(13-22)20(33)14-2-4-18-19(9-14)29-30-28-18/h1,3,10,14H,2,4-9,11-13H2,(H,28,29,30)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[2-fluoro-4-(trifluoromethyl)phenyl]methyl 2-[(5S)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
YBB
YBB
表記:4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide
組成式:C20 H19 F3 N2 O2
SMILES:FC(F)(F)Oc1ccc(cc1)/C=C/c1cc(ccc1N1CCCC1)C(N)=O
InChi:InChI=1S/C20H19F3N2O2/c21-20(22,23)27-17-8-4-14(5-9-17)3-6-15-13-16(19(24)26)7-10-18(15)25-11-1-2-12-25/h3-10,13H,1-2,11-12H2,(H2,24,26)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:4-(pyrrolidin-1-yl)-3-{(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl}benzamide
YOI
YOI
表記:(2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
組成式:C19 H18 Cl2 N4 O2
SMILES:O=C(N1CCC21COC2)c1cnc(NC2Cc3cc(Cl)cc(Cl)c3C2)nc1
InChi:InChI=1S/C19H18Cl2N4O2/c20-13-3-11-4-14(6-15(11)16(21)5-13)24-18-22-7-12(8-23-18)17(26)25-2-1-19(25)9-27-10-19/h3,5,7-8,14H,1-2,4,6,9-10H2,(H,22,23,24)/t14-/m1/s1
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(2-{[(2R)-4,6-dichloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)(6-oxa-1-azaspiro[3.3]heptan-1-yl)methanone
YBF
YBF
表記:(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide
組成式:C27 H20 N4 O3
SMILES:[O-][N+](=O)c1cc(ccc1c1cn(Cc2ccccc2)c2ncccc21)C(=O)Nc1ccccc1
InChi:InChI=1S/C27H20N4O3/c32-27(29-21-10-5-2-6-11-21)20-13-14-22(25(16-20)31(33)34)24-18-30(17-19-8-3-1-4-9-19)26-23(24)12-7-15-28-26/h1-16,18H,17H2,(H,29,32)
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4M)-4-(1-benzyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-nitro-N-phenylbenzamide
YOQ
YOQ
表記:[3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
組成式:C23 H24 Cl N5 O5 S
SMILES:CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2(CC1)CN(C2)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[3-chloro-5-(methanesulfonyl)phenyl]methyl 2-(1H-benzotriazole-5-carbonyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
YBL
YBL
表記:3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine
組成式:C17 H17 Cl2 N O
SMILES:Clc1ccc(/C=C(OC(C)CC)c2cccnc2)c(Cl)c1
InChi:InChI=1S/C17H17Cl2NO/c1-3-12(2)21-17(14-5-4-8-20-11-14)9-13-6-7-15(18)10-16(13)19/h4-12H,3H2,1-2H3/t12-/m0/s1
定義日:2023-06-12
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:3-[(Z)-1-{[(2S)-butan-2-yl]oxy}-2-(2,4-dichlorophenyl)ethenyl]pyridine
YOW
YOW
表記:1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one
組成式:C21 H23 N7 O2
SMILES:O=C(COCCc1cnn[NH]1)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
InChi:InChI=1S/C21H23N7O2/c29-20(13-30-6-5-17-10-23-27-26-17)28-11-16-9-22-21(25-19(16)12-28)24-18-7-14-3-1-2-4-15(14)8-18/h1-4,9-10,18H,5-8,11-13H2,(H,22,24,25)(H,23,26,27)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:1-{2-[(2,3-dihydro-1H-inden-2-yl)amino]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-2-[2-(1H-1,2,3-triazol-5-yl)ethoxy]ethan-1-one
YP0
YP0
表記:(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one
組成式:C24 H17 F N4 O2
SMILES:Cc1nnc(o1)c1cc(ccc1)C=1CC(=O)Nc2cc(ccc2N=1)c1ccccc1F
InChi:InChI=1S/C24H17FN4O2/c1-14-28-29-24(31-14)17-6-4-5-16(11-17)21-13-23(30)27-22-12-15(9-10-20(22)26-21)18-7-2-3-8-19(18)25/h2-12H,13H2,1H3,(H,27,30)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4M,8P)-8-(2-fluorophenyl)-4-[(3P)-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3-dihydro-2H-1,5-benzodiazepin-2-one
YP5
YP5
表記:(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone
組成式:C21 H23 Cl N4 O2
SMILES:O=C(c1cnc(NC2Cc3ccc(Cl)cc3C2)nc1)N1CCC21CC(C)(O)C2
InChi:InChI=1S/C21H23ClN4O2/c1-20(28)11-21(12-20)4-5-26(21)18(27)15-9-23-19(24-10-15)25-17-7-13-2-3-16(22)6-14(13)8-17/h2-3,6,9-10,17,28H,4-5,7-8,11-12H2,1H3,(H,23,24,25)/t17-,20-,21+/m0/s1
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(2-{[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]amino}pyrimidin-5-yl)[(4s,6S)-6-hydroxy-6-methyl-1-azaspiro[3.3]heptan-1-yl]methanone
A1ILU
A1ILU
表記:~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
組成式:C27 H35 Cl N4 O3
SMILES:CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](C3)NC(=O)N[CH]4CCNC4)cc2
InChi:InChI=1S/C27H35ClN4O3/c1-3-26(33)32(18(2)19-4-6-20(28)7-5-19)23-9-12-24(13-10-23)35-25-11-8-21(16-25)30-27(34)31-22-14-15-29-17-22/h4-7,9-10,12-13,18,21-22,25,29H,3,8,11,14-17H2,1-2H3,(H2,30,31,34)/t18-,21+,22-,25+/m0/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
A1ILV
A1ILV
表記:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
組成式:C25 H33 Cl N2 O3
SMILES:CCC(=O)N([CH](CC(C)(C)O)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:InChI=1S/C25H33ClN2O3/c1-4-24(29)28(23(16-25(2,3)30)17-5-7-18(26)8-6-17)20-10-13-21(14-11-20)31-22-12-9-19(27)15-22/h5-8,10-11,13-14,19,22-23,30H,4,9,12,15-16,27H2,1-3H3/t19-,22-,23+/m1/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
A1ILY
A1ILY
表記:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
組成式:C22 H27 Cl N2 O2
SMILES:CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2
InChi:InChI=1S/C22H27ClN2O2/c1-3-22(26)25(15(2)16-4-6-17(23)7-5-16)19-9-12-20(13-10-19)27-21-11-8-18(24)14-21/h4-7,9-10,12-13,15,18,21H,3,8,11,14,24H2,1-2H3/t15?,18-,21+/m0/s1
定義日:2024-08-20
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
YP9
YP9
表記:[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone
組成式:C25 H23 N5 O3
SMILES:COc1cc(cc2ccccc21)C(=O)N1CC2CN(CC2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C25H23N5O3/c1-33-23-10-17(8-15-4-2-3-5-20(15)23)25(32)30-13-18-11-29(12-19(18)14-30)24(31)16-6-7-21-22(9-16)27-28-26-21/h2-10,18-19H,11-14H2,1H3,(H,26,27,28)/t18-,19-/m0/s1
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl](4-methoxynaphthalen-2-yl)methanone
YPB
YPB
表記:(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione
組成式:C27 H27 N3 O6
SMILES:Cc1ccc2c(OCCOc3ccccc3COC(=O)C3=C(C)NC=4N(CC)C(=O)NC(=O)C=4C32)c1
InChi:InChI=1S/C27H27N3O6/c1-4-30-24-23(25(31)29-27(30)33)22-18-10-9-15(2)13-20(18)35-12-11-34-19-8-6-5-7-17(19)14-36-26(32)21(22)16(3)28-24/h5-10,13,22,28H,4,11-12,14H2,1-3H3,(H,29,31,33)/t22-/m1/s1
別名:JJ-II-363A
定義日:2023-12-08
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:(4bS)-1-ethyl-7,20-dimethyl-4b,10,11,21-tetrahydro-2H,17H-dibenzo[12',13':5',6'][1,4,8]trioxacyclotridecino[11',10':4,5]pyrido[2,3-d]pyrimidine-2,4,19(1H,3H)-trione
YPI
YPI
表記:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone
組成式:C27 H23 F3 N6 O3
SMILES:FC(F)(F)COc1nc(cc2ccccc21)C(=O)N1CC2C3CN(CC3C2C1)C(=O)c1cc2nn[NH]c2cc1
InChi:InChI=1S/C27H23F3N6O3/c28-27(29,30)13-39-24-16-4-2-1-3-14(16)7-23(31-24)26(38)36-11-19-17-9-35(10-18(17)20(19)12-36)25(37)15-5-6-21-22(8-15)33-34-32-21/h1-8,17-20H,9-13H2,(H,32,33,34)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:[(3aR,3bR,6aS,6bS)-5-(1H-benzotriazole-5-carbonyl)octahydrocyclobuta[1,2-c:3,4-c']dipyrrol-2(1H)-yl][1-(2,2,2-trifluoroethoxy)isoquinolin-3-yl]methanone
YPO
YPO
表記:N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
組成式:C18 H17 F3 N2 O2
SMILES:O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F
InChi:InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24)
定義日:2023-06-19
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
YCQ
YCQ
表記:1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid
組成式:C30 H46 O5
SMILES:CC(C)C(=C)C(=O)CC(C)C1CCC2(C)C3CCC4C(C(=O)O)C(O)CC(O)C44CC34CCC12C
InChi:InChI=1S/C30H46O5/c1-16(2)18(4)21(31)13-17(3)19-9-10-28(6)23-8-7-20-25(26(34)35)22(32)14-24(33)30(20)15-29(23,30)12-11-27(19,28)5/h16-17,19-20,22-25,32-33H,4,7-15H2,1-3,5-6H3,(H,34,35)/t17?,19-,20?,22?,23+,24?,25?,27-,28+,29+,30-/m1/s1
定義日:2023-06-13
最終更新日:2024-12-13
公開日:2024-12-18
識別子（ID）:1alpha,3beta-dihydroxy-14-methyl-23-oxo-5beta,14beta,17alpha-9,19-cycloergost-24(28)-ene-4alpha-carboxylic acid

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件を2025-07-09に公開中

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