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0WN
0WN
表記:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
組成式:C24 H27 Cl F N5 O3
SMILES:Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)CCCN(C)C
InChi:InChI=1S/C24H27ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h5-6,10-12,14,16H,3-4,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1
別名:Afatinib, bound form
定義日:2012-07-27
最終更新日:2024-09-27
公開日:2012-08-24
識別子（ID）:N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)butanamide
160
160
表記:3-(3-{2-[(5-METHANESULFONYL-THIOPHENE-2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}- BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
組成式:C20 H24 N2 O8 S5
SMILES:O=C(c1sc(cc1)S(=O)(=O)C)NCCSSCc2cccc(c2)S(=O)(=O)NC(C(=O)C)CC(=O)O
InChi:InChI=1S/C20H24N2O8S5/c1-13(23)16(11-18(24)25)22-35(29,30)15-5-3-4-14(10-15)12-32-31-9-8-21-20(26)17-6-7-19(33-17)34(2,27)28/h3-7,10,16,22H,8-9,11-12H2,1-2H3,(H,21,26)(H,24,25)/t16-/m0/s1
定義日:2003-01-21
最終更新日:2024-09-27
識別子（ID）:(3S)-3-({[3-({[2-({[5-(methylsulfonyl)thiophen-2-yl]carbonyl}amino)ethyl]disulfanyl}methyl)phenyl]sulfonyl}amino)-4-oxopentanoic acid
161
161
表記:5-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
組成式:C20 H20 N2 O9 S
SMILES:O=C(O)c1cc(ccc1O)S(=O)(=O)NCc2ccc(C(=O)NC(C(=O)C)CC(=O)O)cc2
InChi:InChI=1S/C20H20N2O9S/c1-11(23)16(9-18(25)26)22-19(27)13-4-2-12(3-5-13)10-21-32(30,31)14-6-7-17(24)15(8-14)20(28)29/h2-8,16,21,24H,9-10H2,1H3,(H,22,27)(H,25,26)(H,28,29)/t16-/m0/s1
定義日:2003-01-21
最終更新日:2024-09-27
識別子（ID）:5-[(4-{[(1S)-1-(carboxymethyl)-2-oxopropyl]carbamoyl}benzyl)sulfamoyl]-2-hydroxybenzoic acid
G8T
G8T
表記:(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
組成式:C17 H21 N O S
SMILES:CC([CH](O)NCCS)(c1ccccc1)c2ccccc2
InChi:InChI=1S/C17H21NOS/c1-17(16(19)18-12-13-20,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,18-20H,12-13H2,1H3/t16-/m0/s1
定義日:2018-09-06
最終更新日:2024-09-27
公開日:2019-02-27
識別子（ID）:(1~{S})-2,2-diphenyl-1-(2-sulfanylethylamino)propan-1-ol
GHX
GHX
表記:(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
組成式:C24 H29 N3 O5
SMILES:OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
InChi:InChI=1S/C24H29N3O5/c28-15-20(14-19-11-12-25-22(19)29)26-23(30)21(13-17-7-3-1-4-8-17)27-24(31)32-16-18-9-5-2-6-10-18/h1-10,19-21,28H,11-16H2,(H,25,29)(H,26,30)(H,27,31)/t19-,20-,21-/m0/s1
定義日:2012-08-13
最終更新日:2024-09-27
公開日:2016-06-01
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
33L
33L
表記:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
組成式:C18 H21 N3 O2
SMILES:O=C(NCCN)C(NC(=O)c1ccccc1)Cc2ccccc2
InChi:InChI=1S/C18H21N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,11-13,19H2,(H,20,23)(H,21,22)/t16-/m0/s1
別名:Nalpha-benzoyl-N-[(2Z)-2-iminoethyl]-L-phenylalaninamide, bound form
定義日:2014-06-10
最終更新日:2024-09-27
公開日:2015-08-05
識別子（ID）:N-(2-aminoethyl)-Nalpha-benzoyl-L-phenylalaninamide
HUJ
HUJ
表記:[(1R)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
組成式:C20 H31 B N5 O8
SMILES:COc1ccc(C(=O)NCCn2cc(nn2)C(=O)N[CH](CC(C)C)[B](O)(O)O)c(OC)c1OC
InChi:InChI=1S/C20H31BN5O8/c1-12(2)10-16(21(29,30)31)23-20(28)14-11-26(25-24-14)9-8-22-19(27)13-6-7-15(32-3)18(34-5)17(13)33-4/h6-7,11-12,16,29-31H,8-10H2,1-5H3,(H,22,27)(H,23,28)/t16-/m0/s1
定義日:2018-07-20
最終更新日:2024-09-27
公開日:2019-09-11
識別子（ID）:[3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron
IRY
IRY
表記:[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate
組成式:C17 H34 O4 Se
SMILES:CCCCCC[Se]CCCCCCCC(=O)OC[CH](O)CO
InChi:InChI=1S/C17H34O4Se/c1-2-3-4-9-12-22-13-10-7-5-6-8-11-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1
定義日:2023-08-03
最終更新日:2024-09-27
公開日:2024-05-15
識別子（ID）:[(2~{S})-2,3-bis(oxidanyl)propyl] 8-hexylselanyloctanoate
00K
00K
表記:(1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
組成式:C28 H44 N6 O4
SMILES:O=C(NC1CCCCC1)C(O)C(NC(=O)C3N2C(=O)C(N)(CCN2CC3)Cc4ccccc4)CCCCN
InChi:InChI=1S/C28H44N6O4/c29-16-8-7-13-22(24(35)26(37)31-21-11-5-2-6-12-21)32-25(36)23-14-17-33-18-15-28(30,27(38)34(23)33)19-20-9-3-1-4-10-20/h1,3-4,9-10,21-24,35H,2,5-8,11-19,29-30H2,(H,31,37)(H,32,36)/t22-,23-,24-,28+/m0/s1
別名:MOL-106
定義日:2010-10-27
最終更新日:2024-09-27
識別子（ID）:(1S,7S)-7-amino-N-[(2S,3S)-7-amino-1-(cyclohexylamino)-2-hydroxy-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide
60H
60H
表記:(2~{S})-2-(diphenylmethyl)pyrrolidine
組成式:C17 H19 N
SMILES:C1CN[CH](C1)C(c2ccccc2)c3ccccc3
InChi:InChI=1S/C17H19N/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)15-10-5-2-6-11-15/h1-6,8-11,16-18H,7,12-13H2/t16-/m0/s1
定義日:2016-01-08
最終更新日:2024-09-27
公開日:2016-01-27
識別子（ID）:(2~{S})-2-(diphenylmethyl)pyrrolidine
62A
62A
表記:2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
組成式:C22 H26 N8 O3 S
SMILES:O=C(c1nccs1)C(NC(=O)CN2C(=NC=C(N)C2=O)c3cccc(c3)C)CCCNC(=[N@H])N
InChi:InChI=1S/C22H26N8O3S/c1-13-4-2-5-14(10-13)19-28-11-15(23)21(33)30(19)12-17(31)29-16(6-3-7-27-22(24)25)18(32)20-26-8-9-34-20/h2,4-5,8-11,16H,3,6-7,12,23H2,1H3,(H,29,31)(H4,24,25,27)/t16-/m0/s1
定義日:2005-06-03
最終更新日:2024-09-27
識別子（ID）:2-[5-amino-2-(3-methylphenyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide
632
632
表記:2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE
組成式:C23 H28 N8 O3 S2
SMILES:O=C(c1nccs1)C(NC(=O)CN3C(SC)=NC=C(NCc2ccccc2)C3=O)CCCNC(=[N@H])N
InChi:InChI=1S/C23H28N8O3S2/c1-35-23-29-13-17(28-12-15-6-3-2-4-7-15)21(34)31(23)14-18(32)30-16(8-5-9-27-22(24)25)19(33)20-26-10-11-36-20/h2-4,6-7,10-11,13,16,28H,5,8-9,12,14H2,1H3,(H,30,32)(H4,24,25,27)/t16-/m0/s1
定義日:2005-06-03
最終更新日:2024-09-27
識別子（ID）:2-[5-(benzylamino)-2-(methylsulfanyl)-6-oxopyrimidin-1(6H)-yl]-N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]acetamide
6A8
6A8
表記:((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol
組成式:C25 H35 B N6 O5
SMILES:O=C(NC(Cc1ccc(cc1)CN)C(NC(B2OC(CO)CO2)CCCN/C(N)=N)=O)c3ccccc3
InChi:InChI=1S/C25H35BN6O5/c27-14-18-10-8-17(9-11-18)13-21(31-23(34)19-5-2-1-3-6-19)24(35)32-22(7-4-12-30-25(28)29)26-36-16-20(15-33)37-26/h1-3,5-6,8-11,20-22,33H,4,7,12-16,27H2,(H,31,34)(H,32,35)(H4,28,29,30)/t20-,21-,22-/m0/s1
定義日:2016-02-25
最終更新日:2024-09-27
公開日:2016-12-14
識別子（ID）:4-(aminomethyl)-Nalpha-(benzenecarbonyl)-N-{(1R)-4-carbamimidamido-1-[(4S)-4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl]butyl}-L-phenylalaninamide
4E0
4E0
表記:1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
組成式:C20 H42 F O2 P
SMILES:CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC
InChi:InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1
定義日:2021-07-01
最終更新日:2024-09-27
公開日:2021-09-15
識別子（ID）:1-[butyl(fluoranyl)phosphoryl]oxyhexadecane
4J4
4J4
表記:S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine
組成式:C18 H18 F2 N2 O3 S
SMILES:NC(C(=O)O)CSCC(=O)NCc1ccc(cc1)c2c(F)cc(cc2)F
InChi:InChI=1S/C18H18F2N2O3S/c19-13-5-6-14(15(20)7-13)12-3-1-11(2-4-12)8-22-17(23)10-26-9-16(21)18(24)25/h1-7,16H,8-10,21H2,(H,22,23)(H,24,25)/t16-/m0/s1
定義日:2015-09-17
最終更新日:2024-09-27
公開日:2016-07-27
識別子（ID）:S-(2-{[(2',4'-difluorobiphenyl-4-yl)methyl]amino}-2-oxoethyl)-L-cysteine
737
737
表記:N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-2-{6-OXO-5-[(QUINOLIN-8-YLMETHYL)-AMINO]-2-M-TOLYL-6H-PYRIMIDIN-1-YL}-ACETAMIDE
組成式:C32 H33 N9 O3 S
SMILES:O=C(c1nccs1)C(NC(=O)CN4C(=NC=C(NCc3c2ncccc2ccc3)C4=O)c5cccc(c5)C)CCCNC(=[N@H])N
InChi:InChI=1S/C32H33N9O3S/c1-20-6-2-8-22(16-20)29-39-18-25(38-17-23-9-3-7-21-10-4-12-35-27(21)23)31(44)41(29)19-26(42)40-24(11-5-13-37-32(33)34)28(43)30-36-14-15-45-30/h2-4,6-10,12,14-16,18,24,38H,5,11,13,17,19H2,1H3,(H,40,42)(H4,33,34,37)/t24-/m0/s1
定義日:2005-07-27
最終更新日:2024-09-27
識別子（ID）:N-[(1S)-4-carbamimidamido-1-(1,3-thiazol-2-ylcarbonyl)butyl]-2-[2-(3-methylphenyl)-6-oxo-5-[(quinolin-8-ylmethyl)amino]pyrimidin-1(6H)-yl]acetamide
8FQ
8FQ
表記:~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
組成式:C24 H27 F N6 O3
SMILES:COc1cccc2n(C)c(nc12)[CH](CCCNC(=N)CF)NC(=O)c3cccc4CNC(=O)c34
InChi:InChI=1S/C24H27FN6O3/c1-31-17-9-4-10-18(34-2)21(17)30-22(31)16(8-5-11-27-19(26)12-25)29-23(32)15-7-3-6-14-13-28-24(33)20(14)15/h3-4,6-7,9-10,16H,5,8,11-13H2,1-2H3,(H2,26,27)(H,28,33)(H,29,32)/t16-/m0/s1
定義日:2017-02-06
最終更新日:2024-09-27
公開日:2017-05-24
識別子（ID）:~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide
1LE
1LE
表記:(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
組成式:C24 H28 N4 O5
SMILES:N#CC(C(=O)NC(C)(C)CO)Cc1cc2c(cc1)nnc2c3cc(OC)c(OC)c(OC)c3
InChi:InChI=1S/C24H28N4O5/c1-24(2,13-29)26-23(30)16(12-25)8-14-6-7-18-17(9-14)21(28-27-18)15-10-19(31-3)22(33-5)20(11-15)32-4/h6-7,9-11,16,29H,8,13H2,1-5H3,(H,26,30)(H,27,28)/t16-/m0/s1
定義日:2013-03-18
最終更新日:2024-09-27
公開日:2013-04-10
識別子（ID）:(2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide
XKM
XKM
表記:3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate
組成式:C30 H32 F2 N6 O3 S
SMILES:CN1CCC(NC(=O)OCC#Cc2c(F)cc(OCc3nnc(SC4C=CCCC4)n3c3cccnc3)cc2F)CC1
InChi:InChI=1S/C30H32F2N6O3S/c1-37-14-11-21(12-15-37)34-30(39)40-16-6-10-25-26(31)17-23(18-27(25)32)41-20-28-35-36-29(42-24-8-3-2-4-9-24)38(28)22-7-5-13-33-19-22/h3,5,7-8,13,17-19,21,24H,2,4,9,11-12,14-16,20H2,1H3,(H,34,39)/t24-/m0/s1
定義日:2023-11-03
最終更新日:2024-09-23
公開日:2024-08-21
識別子（ID）:3-(4-{[(4P)-5-{[(1R)-cyclohex-2-en-1-yl]sulfanyl}-4-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]methoxy}-2,6-difluorophenyl)prop-2-yn-1-yl (1-methylpiperidin-4-yl)carbamate
N60
N60
表記:2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
組成式:C22 H20 F5 N3 O3
SMILES:CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13
InChi:InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
別名:RO4929097
定義日:2023-08-22
最終更新日:2024-08-09
公開日:2024-08-14
識別子（ID）:2,2-dimethyl-~{N}-[(7~{S})-6-oxidanylidene-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-~{N}'-[2,2,3,3,3-pentakis(fluoranyl)propyl]propanediamide
A1AE6
A1AE6
表記:(3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide
組成式:C20 H25 F N4 O3 S
SMILES:O=C(NCc1nc(cs1)c1ccc(C)nc1)C1CCCN(C1)C(=O)COCCF
InChi:InChI=1S/C20H25FN4O3S/c1-14-4-5-15(9-22-14)17-13-29-18(24-17)10-23-20(27)16-3-2-7-25(11-16)19(26)12-28-8-6-21/h4-5,9,13,16H,2-3,6-8,10-12H2,1H3,(H,23,27)/t16-/m0/s1
定義日:2024-02-21
最終更新日:2024-07-26
公開日:2024-07-31
識別子（ID）:(3S)-1-[(2-fluoroethoxy)acetyl]-N-{[(4P)-4-(6-methylpyridin-3-yl)-1,3-thiazol-2-yl]methyl}piperidine-3-carboxamide
XM8
XM8
表記:7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C27 H27 Cl N2 O5 S
SMILES:C[CH](OCc1ccc(CN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4
InChi:InChI=1S/C27H27ClN2O5S/c1-16(35-14-18-8-6-17(13-29)7-9-18)21-4-3-5-22-24(26(27(31)32)30-25(21)22)19-10-11-20(23(28)12-19)15-36(2,33)34/h3-12,16,30H,13-15,29H2,1-2H3,(H,31,32)/t16-/m0/s1
定義日:2023-06-08
最終更新日:2024-06-21
公開日:2024-06-26
識別子（ID）:7-[(1~{S})-1-[[4-(aminomethyl)phenyl]methoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
XNT
XNT
表記:7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
組成式:C27 H27 Cl N2 O5 S
SMILES:C[CH](Oc1ccc(CCN)cc1)c2cccc3c2[nH]c(C(O)=O)c3c4ccc(C[S](C)(=O)=O)c(Cl)c4
InChi:InChI=1S/C27H27ClN2O5S/c1-16(35-20-10-6-17(7-11-20)12-13-29)21-4-3-5-22-24(26(27(31)32)30-25(21)22)18-8-9-19(23(28)14-18)15-36(2,33)34/h3-11,14,16,30H,12-13,15,29H2,1-2H3,(H,31,32)/t16-/m0/s1
定義日:2023-06-08
最終更新日:2024-06-21
公開日:2024-06-26
識別子（ID）:7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid
Q2B
Q2B
表記:3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole
組成式:C20 H16 N2 O3
SMILES:[O-][N+](=O)C[CH](c1occc1)c2c([nH]c3ccccc23)c4ccccc4
InChi:InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2/t16-/m0/s1
定義日:2023-03-13
最終更新日:2024-05-31
公開日:2024-06-05
識別子（ID）:3-[(1~{S})-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1~{H}-indole
VV9
VV9
表記:(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
組成式:C16 H15 Br Cl N O3 S2
SMILES:COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3
InChi:InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1
別名:BMS-986122
定義日:2023-08-21
最終更新日:2024-05-24
公開日:2024-05-29
識別子（ID）:(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine

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件を2024-10-16に公開中

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