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A1H1Q
A1H1Q
表記:~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate
組成式:C41 H44 N8 O9 S3
SMILES:COc1cc2C(=O)N3CCC[CH]3C=Nc2cc1OCCCC(=O)Nc4cn(C)c(c4)C(=O)Nc5ccc6sc(cc6c5)C(=O)Nc7cn(C)c(n7)C(=O)SC[CH](O)[CH](O)CS
InChi:InChI=1S/C41H44N8O9S3/c1-47-18-24(43-36(52)7-5-11-58-32-16-27-26(15-31(32)57-3)40(55)49-10-4-6-25(49)17-42-27)14-28(47)38(53)44-23-8-9-33-22(12-23)13-34(61-33)39(54)46-35-19-48(2)37(45-35)41(56)60-21-30(51)29(50)20-59/h8-9,12-19,25,29-30,50-51,59H,4-7,10-11,20-21H2,1-3H3,(H,43,52)(H,44,53)(H,46,54)
定義日:2024-01-03
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:~{S}-[(2~{S},3~{S})-2,3-bis(oxidanyl)-4-sulfanyl-butyl] 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carbothioate
A1H1R
A1H1R
表記:ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
組成式:C39 H40 N8 O8 S
SMILES:CCOC(=O)c1nc(NC(=O)c2sc3ccc(NC(=O)c4cc(NC(=O)CCCOc5cc6N=C[CH]7CCCN7C(=O)c6cc5OC)cn4C)cc3c2)cn1C
InChi:InChI=1S/C39H40N8O8S/c1-5-54-39(52)35-43-33(21-46(35)3)44-37(50)32-15-22-14-23(10-11-31(22)56-32)42-36(49)28-16-24(20-45(28)2)41-34(48)9-7-13-55-30-18-27-26(17-29(30)53-4)38(51)47-12-6-8-25(47)19-40-27/h10-11,14-21,25H,5-9,12-13H2,1-4H3,(H,41,48)(H,42,49)(H,44,50)/t25-/m1/s1
定義日:2024-01-03
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:ethyl 4-[[5-[[4-[4-[[(6~{a}~{S})-2-methoxy-11-oxidanylidene-6~{a},7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-1-methyl-pyrrol-2-yl]carbonylamino]-1-benzothiophen-2-yl]carbonylamino]-1-methyl-imidazole-2-carboxylate
W2N
W2N
表記:(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol
組成式:C14 H13 F O
SMILES:C[CH](O)c1ccc(cc1)c2ccccc2F
InChi:InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m0/s1
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(1~{S})-1-[4-(2-fluorophenyl)phenyl]ethanol
W4B
W4B
表記:(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol
組成式:C14 H13 F O
SMILES:C[CH](O)c1ccc(cc1)c2ccccc2F
InChi:InChI=1S/C14H13FO/c1-10(16)11-6-8-12(9-7-11)13-4-2-3-5-14(13)15/h2-10,16H,1H3/t10-/m1/s1
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(1~{R})-1-[4-(2-fluorophenyl)phenyl]ethanol
W4K
W4K
表記:(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol
組成式:C20 H26 F N O3
SMILES:CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F
InChi:InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20+/m1/s1
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{R})-2-[(1~{S})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol
W4U
W4U
表記:1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
組成式:C12 H13 Cl O2
SMILES:OC(=O)C1(CCCC1)c2ccc(Cl)cc2
InChi:InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15)
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:1-(4-chlorophenyl)cyclopentane-1-carboxylic acid
W5B
W5B
表記:3-phenylphenol
組成式:C12 H10 O
SMILES:Oc1cccc(c1)c2ccccc2
InChi:InChI=1S/C12H10O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,13H
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:3-phenylphenol
W5K
W5K
表記:(2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol
組成式:C20 H26 F N O3
SMILES:CC[CH](O[CH](C)CO)c1ccc(cc1NCCO)c2ccccc2F
InChi:InChI=1S/C20H26FNO3/c1-3-20(25-14(2)13-24)17-9-8-15(12-19(17)22-10-11-23)16-6-4-5-7-18(16)21/h4-9,12,14,20,22-24H,3,10-11,13H2,1-2H3/t14-,20-/m1/s1
定義日:2023-09-25
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{R})-2-[(1~{R})-1-[4-(2-fluorophenyl)-2-(2-hydroxyethylamino)phenyl]propoxy]propan-1-ol
LRX
LRX
表記:squarunkin A
組成式:C25 H32 F3 N5 O4
SMILES:CCOC(=O)N1CCC(CC1)NC2=C(NCCN3CCN(CC3)c4cccc(c4)C(F)(F)F)C(=O)C2=O
InChi:InChI=1S/C25H32F3N5O4/c1-2-37-24(36)33-9-6-18(7-10-33)30-21-20(22(34)23(21)35)29-8-11-31-12-14-32(15-13-31)19-5-3-4-17(16-19)25(26,27)28/h3-5,16,18,29-30H,2,6-15H2,1H3
別名:ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate
定義日:2022-07-11
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:ethyl 4-[[3,4-bis(oxidanylidene)-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclobuten-1-yl]amino]piperidine-1-carboxylate
WD6
WD6
表記:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide
組成式:C32 H30 Cl2 F N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(N)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCC#C
InChi:InChI=1S/C32H30Cl2FN5O3/c1-2-13-38-30(41)18-26(14-20-7-11-25(35)12-8-20)39-32(43)29(16-22-9-10-24(33)17-27(22)34)40-31(42)28(37)15-21-5-3-4-6-23(21)19-36/h1,3-12,17,26,28-29H,13-16,18,37H2,(H,38,41)(H,39,43)(H,40,42)/t26-,28+,29+/m0/s1
定義日:2023-10-02
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:2-cyano-D-phenylalanyl-2,4-dichloro-N-{(2S)-1-(4-fluorophenyl)-4-oxo-4-[(prop-2-yn-1-yl)amino]butan-2-yl}-D-phenylalaninamide
WDF
WDF
表記:2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
組成式:C35 H39 Cl3 F N5 O3
SMILES:Clc1cc(Cl)ccc1CC(NC(=O)C(Cl)Cc1ccccc1C#N)C(=O)NC(Cc1ccc(F)cc1)CC(=O)NCCCCN(C)C
InChi:InChI=1S/C35H39Cl3FN5O3/c1-44(2)16-6-5-15-41-33(45)21-29(17-23-9-13-28(39)14-10-23)42-35(47)32(19-25-11-12-27(36)20-30(25)37)43-34(46)31(38)18-24-7-3-4-8-26(24)22-40/h3-4,7-14,20,29,31-32H,5-6,15-19,21H2,1-2H3,(H,41,45)(H,42,47)(H,43,46)/t29-,31+,32+/m0/s1
定義日:2023-10-02
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:2,4-dichloro-Nalpha-[(2R)-2-chloro-3-(2-cyanophenyl)propanoyl]-N-[(2S)-4-{[4-(dimethylamino)butyl]amino}-1-(4-fluorophenyl)-4-oxobutan-2-yl]-D-phenylalaninamide
A1IN9
A1IN9
表記:(2~{S},9~{S},12~{R},14~{E})-2-cyclohexyl-23,24-dimethoxy-12-methyl-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
組成式:C31 H45 N O7
SMILES:COc1cc2cc(OCCCOCC=CC[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC
InChi:InChI=1S/C31H45NO7/c1-22-12-8-10-17-37-18-11-19-38-27-21-24(20-26(35-2)29(27)36-3)28(23-13-5-4-6-14-23)30(33)32-16-9-7-15-25(32)31(34)39-22/h8,10,20-23,25,28H,4-7,9,11-19H2,1-3H3/b10-8+/t22-,25+,28+/m1/s1
定義日:2024-09-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{S},9~{S},12~{R},14~{E})-2-cyclohexyl-23,24-dimethoxy-12-methyl-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
A1INQ
A1INQ
表記:3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone
組成式:C32 H46 N4 O6
SMILES:COc1cc2cc(O[CH](C)CCn3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C32H46N4O6/c1-22-15-17-35-21-25(33-34-35)13-8-10-18-41-32(38)26-14-7-9-16-36(26)31(37)29(23-11-5-4-6-12-23)24-19-27(39-2)30(40-3)28(20-24)42-22/h19-23,26,29H,4-18H2,1-3H3/t22-,26+,29+/m1/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1INR
A1INR
表記:3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone
組成式:C31 H44 N4 O6
SMILES:COc1cc2cc(OCC[CH](C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C31H44N4O6/c1-21-14-17-40-27-19-23(18-26(38-2)29(27)39-3)28(22-10-5-4-6-11-22)30(36)34-15-8-7-13-25(34)31(37)41-16-9-12-24-20-35(21)33-32-24/h18-22,25,28H,4-17H2,1-3H3/t21-,25-,28-/m0/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1INU
A1INU
表記:3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-1-aza-1lambda5-polona-1,18-distannapentacyclo[15.7.0.01,10.010,10.011,16]eicosane-2,12-quinone
組成式:C31 H44 N4 O6
SMILES:COc1cc2cc(OC[CH](C)Cn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C31H44N4O6/c1-21-18-34-19-24(32-33-34)12-9-15-40-31(37)25-13-7-8-14-35(25)30(36)28(22-10-5-4-6-11-22)23-16-26(38-2)29(39-3)27(17-23)41-20-21/h16-17,19,21-22,25,28H,4-15,18,20H2,1-3H3/t21-,25+,28+/m1/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1INV
A1INV
表記:3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
組成式:C31 H44 N4 O6
SMILES:COc1cc2cc(O[CH](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C31H44N4O6/c1-21-14-16-34-20-24(32-33-34)12-9-17-40-31(37)25-13-7-8-15-35(25)30(36)28(22-10-5-4-6-11-22)23-18-26(38-2)29(39-3)27(19-23)41-21/h18-22,25,28H,4-17H2,1-3H3/t21-,25+,28+/m1/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1INY
A1INY
表記:3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone
組成式:C32 H46 N4 O6
SMILES:COc1cc2cc(O[CH](C)CCn3cc(C[CH](C)COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C32H46N4O6/c1-21-16-25-19-35(34-33-25)15-13-22(2)42-28-18-24(17-27(39-3)30(28)40-4)29(23-10-6-5-7-11-23)31(37)36-14-9-8-12-26(36)32(38)41-20-21/h17-19,21-23,26,29H,5-16,20H2,1-4H3/t21-,22-,26-,29-/m0/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1INZ
A1INZ
表記:2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
組成式:C31 H44 N4 O6
SMILES:COc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC
InChi:InChI=1S/C31H44N4O6/c1-21-16-24-19-34(33-32-24)13-9-15-40-27-18-23(17-26(38-2)29(27)39-3)28(22-10-5-4-6-11-22)30(36)35-14-8-7-12-25(35)31(37)41-20-21/h17-19,21-22,25,28H,4-16,20H2,1-3H3/t21-,25+,28+/m1/s1
定義日:2024-09-11
最終更新日:2025-01-10
公開日:2025-01-15
A1IOA
A1IOA
表記:(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
組成式:C30 H43 N O7
SMILES:COc1cc2cc(OCCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC
InChi:InChI=1S/C30H43NO7/c1-34-25-20-23-21-26(28(25)35-2)37-19-11-17-36-16-9-4-10-18-38-30(33)24-14-7-8-15-31(24)29(32)27(23)22-12-5-3-6-13-22/h4,9,20-22,24,27H,3,5-8,10-19H2,1-2H3/b9-4+/t24-,27-/m0/s1
定義日:2024-09-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
A1IOB
A1IOB
表記:(2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione
組成式:C30 H45 N O7
SMILES:COc1cc2cc(OCCCOCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC
InChi:InChI=1S/C30H45NO7/c1-34-25-20-23-21-26(28(25)35-2)37-19-11-17-36-16-9-4-10-18-38-30(33)24-14-7-8-15-31(24)29(32)27(23)22-12-5-3-6-13-22/h20-22,24,27H,3-19H2,1-2H3/t24-,27-/m0/s1
定義日:2024-09-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione
A1IOE
A1IOE
表記:(2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
組成式:C31 H45 N O8
SMILES:COc1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC
InChi:InChI=1S/C31H45NO8/c1-20-19-39-27-18-23(17-26(36-3)29(27)37-4)28(22-11-6-5-7-12-22)30(34)32-15-9-8-13-24(32)31(35)40-21(2)25(33)14-10-16-38-20/h10,14,17-18,20-22,24-25,28,33H,5-9,11-13,15-16,19H2,1-4H3/b14-10+/t20-,21+,24-,25-,28-/m0/s1
定義日:2024-09-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
A1IOF
A1IOF
表記:(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
組成式:C31 H45 N O8
SMILES:COc1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC
InChi:InChI=1S/C31H45NO8/c1-20-19-39-27-18-23(17-26(36-3)29(27)37-4)28(22-11-6-5-7-12-22)30(34)32-15-9-8-13-24(32)31(35)40-21(2)25(33)14-10-16-38-20/h10,14,17-18,20-22,24-25,28,33H,5-9,11-13,15-16,19H2,1-4H3/b14-10+/t20-,21-,24+,25+,28+/m1/s1
定義日:2024-09-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:(2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
A1L3Y
A1L3Y
表記:~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide
組成式:C22 H32 N6 O7
SMILES:NCCOCCOCCOCCNC(=O)CN1C=C2Oc3cccc(OCCN)c3NC2=NC1=O
InChi:InChI=1S/C22H32N6O7/c23-4-7-31-10-12-33-13-11-32-9-6-25-19(29)15-28-14-18-21(27-22(28)30)26-20-16(34-8-5-24)2-1-3-17(20)35-18/h1-3,14H,4-13,15,23-24H2,(H,25,29)(H,26,27,30)
定義日:2024-08-22
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:~{N}-[2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethyl]-2-[9-(2-azanylethoxy)-2-oxidanylidene-10~{H}-pyrimido[5,4-b][1,4]benzoxazin-3-yl]ethanamide
A1LV7
A1LV7
表記:cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone
組成式:C28 H32 F N7 O3
SMILES:CO[CH]1CN(C[CH]1O)Cc2cn(nc2C)c3ccnc(Nc4ccc5n(CCF)cc(C(=O)C6CC6)c5c4)n3
InChi:InChI=1S/C28H32FN7O3/c1-17-19(12-34-15-24(37)25(16-34)39-2)13-36(33-17)26-7-9-30-28(32-26)31-20-5-6-23-21(11-20)22(14-35(23)10-8-29)27(38)18-3-4-18/h5-7,9,11,13-14,18,24-25,37H,3-4,8,10,12,15-16H2,1-2H3,(H,30,31,32)/t24-,25+/m0/s1
定義日:2024-01-12
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:cyclopropyl-[1-(2-fluoranylethyl)-5-[[4-[4-[[(3~{R},4~{S})-3-methoxy-4-oxidanyl-pyrrolidin-1-yl]methyl]-3-methyl-pyrazol-1-yl]pyrimidin-2-yl]amino]indol-3-yl]methanone
A1LWQ
A1LWQ
表記:3-(4-aminophenyl)-2-oxidanylidene-propanoic acid
組成式:C9 H9 N O3
SMILES:Nc1ccc(CC(=O)C(O)=O)cc1
InChi:InChI=1S/C9H9NO3/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4H,5,10H2,(H,12,13)
定義日:2024-01-16
最終更新日:2025-01-10
公開日:2025-01-15
識別子（ID）:3-(4-aminophenyl)-2-oxidanylidene-propanoic acid

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件を2025-10-22に公開中

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