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200
200
表記:4-CHLORO-L-PHENYLALANINE
組成式:C9 H10 Cl N O2
SMILES:Clc1ccc(cc1)CC(C(=O)O)N
InChi:InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
定義日:2005-09-15
最終更新日:2024-09-27
識別子（ID）:4-chloro-L-phenylalanine
20H
20H
表記:1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
組成式:C16 H20 Cl2 N2 O3 S
SMILES:O=C(N1CCC(C(=O)NCCS)CC1)COc2ccc(Cl)cc2Cl
InChi:InChI=1S/C16H20Cl2N2O3S/c17-12-1-2-14(13(18)9-12)23-10-15(21)20-6-3-11(4-7-20)16(22)19-5-8-24/h1-2,9,11,24H,3-8,10H2,(H,19,22)
定義日:2013-08-12
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:1-[(2,4-dichlorophenoxy)acetyl]-N-(2-sulfanylethyl)piperidine-4-carboxamide
219
219
表記:cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate
組成式:C14 H19 O5 P
SMILES:c1ccc(c(c1)OP(O)(OCC2CCCCC2)=O)C=O
InChi:InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)
別名:PAS219
定義日:2003-06-20
最終更新日:2024-09-27
識別子（ID）:cyclohexylmethyl 2-formylphenyl hydrogen (S)-phosphate
21F
21F
表記:N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
組成式:C16 H23 Cl I N3 O4 S
SMILES:O=C(N1CCC(NS(=O)(=O)CC)CC1)CNc2cc(I)c(Cl)cc2OC
InChi:InChI=1S/C16H23ClIN3O4S/c1-3-26(23,24)20-11-4-6-21(7-5-11)16(22)10-19-14-9-13(18)12(17)8-15(14)25-2/h8-9,11,19-20H,3-7,10H2,1-2H3
定義日:2013-08-15
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethanesulfonamide
21I
21I
表記:~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide
組成式:C24 H25 N7 O2
SMILES:CCC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=O)NCc4cn(nn4)C5CCC5
InChi:InChI=1S/C24H25N7O2/c1-2-22(32)26-17-11-15(23-20-8-3-4-9-21(20)28-29-23)10-16(12-17)24(33)25-13-18-14-31(30-27-18)19-6-5-7-19/h3-4,8-12,14,19H,2,5-7,13H2,1H3,(H,25,33)(H,26,32)(H,28,29)
定義日:2021-06-15
最終更新日:2024-09-27
公開日:2022-07-20
識別子（ID）:~{N}-[(1-cyclobutyl-1,2,3-triazol-4-yl)methyl]-3-(1~{H}-indazol-3-yl)-5-(propanoylamino)benzamide
21J
21J
表記:N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
組成式:C18 H24 Cl2 N2 O6 S
SMILES:O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC
InChi:InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3
定義日:2013-08-16
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide
21M
21M
表記:N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
組成式:C15 H20 Cl2 N2 O4 S
SMILES:O=C(N1CCC(NS(=O)(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:InChI=1S/C15H20Cl2N2O4S/c1-2-24(21,22)18-12-5-7-19(8-6-12)15(20)10-23-14-4-3-11(16)9-13(14)17/h3-4,9,12,18H,2,5-8,10H2,1H3
定義日:2013-08-19
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethanesulfonamide
21S
21S
表記:N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
組成式:C15 H19 Cl2 N5 O3 S2
SMILES:O=S(=O)(NC3CCN(C(=O)CNc1c(Cl)cc(Cl)c2nsnc12)CC3)CC
InChi:InChI=1S/C15H19Cl2N5O3S2/c1-2-27(24,25)21-9-3-5-22(6-4-9)12(23)8-18-13-10(16)7-11(17)14-15(13)20-26-19-14/h7,9,18,21H,2-6,8H2,1H3
定義日:2013-08-21
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide
21Y
21Y
表記:1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
組成式:C16 H21 Cl2 N3 O3
SMILES:O=C(N1CCN(C(=O)CC)CC1)CNc2cc(Cl)c(Cl)cc2OC
InChi:InChI=1S/C16H21Cl2N3O3/c1-3-15(22)20-4-6-21(7-5-20)16(23)10-19-13-8-11(17)12(18)9-14(13)24-2/h8-9,19H,3-7,10H2,1-2H3
定義日:2013-08-22
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:1-(4-{[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)propan-1-one
220
220
表記:UNDECA-3,7-DIENE-1,3,7,11-TETRACARBALDEHYDE
組成式:C15 H20 O4
SMILES:O=CC(=C/CCCC=O)CCC=C(C=O)CCC=O
InChi:InChI=1S/C15H20O4/c16-10-3-1-2-6-14(12-18)7-4-8-15(13-19)9-5-11-17/h6,8,10-13H,1-5,7,9H2
定義日:2006-09-28
最終更新日:2024-09-27
識別子（ID）:(3E)-undeca-3,7-diene-1,3,7,11-tetracarbaldehyde
221
221
表記:(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-2-CYANO-3-THIOXOPROPANAMIDE
組成式:C12 H9 F6 N3 O S
SMILES:N#CC(C(=O)N)C(S)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChi:InChI=1S/C12H9F6N3OS/c13-11(14,15)5-1-6(12(16,17)18)3-7(2-5)21-10(23)8(4-19)9(20)22/h1-3,8,10,21,23H,(H2,20,22)/t8?,10-/m1/s1
定義日:2006-10-16
最終更新日:2024-09-27
識別子（ID）:(2R,3R)-3-{[3,5-bis(trifluoromethyl)phenyl]amino}-2-cyano-3-sulfanylpropanamide
22C
22C
表記:1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
組成式:C15 H18 Cl2 N2 O3
SMILES:O=C(N1CCN(C(=O)CC)CC1)COc2ccc(Cl)cc2Cl
InChi:InChI=1S/C15H18Cl2N2O3/c1-2-14(20)18-5-7-19(8-6-18)15(21)10-22-13-4-3-11(16)9-12(13)17/h3-4,9H,2,5-8,10H2,1H3
定義日:2013-08-22
最終更新日:2024-09-27
公開日:2013-11-27
識別子（ID）:1-{4-[(2,4-dichlorophenoxy)acetyl]piperazin-1-yl}propan-1-one
22G
22G
表記:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
組成式:C18 H22 N2 O3
SMILES:O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccc(O)cc2
InChi:InChI=1S/C18H22N2O3/c19-15(10-13-4-2-1-3-5-13)12-20-17(18(22)23)11-14-6-8-16(21)9-7-14/h1-9,15,17,20-21H,10-12,19H2,(H,22,23)/t15-,17-/m0/s1
定義日:2013-08-23
最終更新日:2024-09-27
公開日:2014-01-15
識別子（ID）:N-[(2S)-2-amino-3-phenylpropyl]-L-tyrosine
22R
22R
表記:2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
組成式:C17 H18 N2
SMILES:Cc1[nH]c2ccc(cc2c1CCN)c3ccccc3
InChi:InChI=1S/C17H18N2/c1-12-15(9-10-18)16-11-14(7-8-17(16)19-12)13-5-3-2-4-6-13/h2-8,11,19H,9-10,18H2,1H3
定義日:2022-01-26
最終更新日:2024-09-27
公開日:2023-08-30
識別子（ID）:2-(2-methyl-5-phenyl-1~{H}-indol-3-yl)ethanamine
23F
23F
表記:(2Z)-2-AMINO-3-PHENYLACRYLIC ACID
組成式:C9 H9 N O2
SMILES:O=C(O)C(/N)=C/c1ccccc1
InChi:InChI=1S/C9H9NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6H,10H2,(H,11,12)/b8-6-
別名:DEHYDROPHENYLALANINE
定義日:2005-10-17
最終更新日:2024-09-27
識別子（ID）:(2Z)-2-amino-3-phenylprop-2-enoic acid
23P
23P
表記:3-(propanoylamino)-L-alanine
組成式:C6 H12 N2 O3
SMILES:O=C(NCC(N)C(=O)O)CC
InChi:InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
定義日:2012-12-12
最終更新日:2024-09-27
公開日:2013-08-14
識別子（ID）:3-(propanoylamino)-L-alanine
23S
23S
表記:(S)-2-AMINO-3-(6H-SELENOLO[2,3-B]-PYRROL-4-YL)-PROPIONIC ACID
組成式:C9 H10 N2 O2 Se
SMILES:O=C(O)C(N)Cc2c1cc[se]c1nc2
InChi:InChI=1S/C9H10N2O2Se/c10-7(9(12)13)3-5-4-11-8-6(5)1-2-14-8/h1-2,4,7,11H,3,10H2,(H,12,13)/t7-/m0/s1
定義日:2004-01-02
最終更新日:2024-09-27
識別子（ID）:3-(6H-selenopheno[2,3-b]pyrrol-4-yl)-L-alanine
A1H0F
A1H0F
表記:(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
組成式:C5 H8 F2 O3
SMILES:OC[CH]1OCC(F)(F)[CH]1O
InChi:InChI=1S/C5H8F2O3/c6-5(7)2-10-3(1-8)4(5)9/h3-4,8-9H,1-2H2/t3-,4-/m1/s1
定義日:2023-12-15
最終更新日:2024-09-27
公開日:2024-02-21
識別子（ID）:(2~{R},3~{R})-4,4-bis(fluoranyl)-2-(hydroxymethyl)oxolan-3-ol
A1H1J
A1H1J
表記:(phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
組成式:C26 H26 Cl F N4 O3
SMILES:CN(N(Cc1cccc(Cl)c1F)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3
InChi:InChI=1S/C26H26ClFN4O3/c1-31(32(18-29)16-21-13-8-14-22(27)24(21)28)25(33)23(15-19-9-4-2-5-10-19)30-26(34)35-17-20-11-6-3-7-12-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/b29-18-/t23-/m0/s1
定義日:2023-12-22
最終更新日:2024-09-27
公開日:2024-05-29
識別子（ID）:(phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate
A1H2E
A1H2E
表記:1-[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]guanidine
組成式:C17 H24 N4 O3 P
SMILES:N[CH](CCCNC(N)=[NH2+])[P](=O)(Oc1ccccc1)Oc2ccccc2
InChi:InChI=1S/C17H23N4O3P/c18-16(12-7-13-21-17(19)20)25(22,23-14-8-3-1-4-9-14)24-15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13,18H2,(H4,19,20,21)/p+1/t16-/m1/s1
定義日:2024-01-17
最終更新日:2024-09-27
公開日:2024-01-31
識別子（ID）:[azanyl-[[(4~{R})-4-azanyl-4-diphenoxyphosphoryl-butyl]amino]methylidene]azanium
A1H4A
A1H4A
表記:8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid
組成式:C35 H37 F3 N6 O7 S
SMILES:Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O
InChi:InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1
別名:LIPID FRAGMENT
定義日:2024-02-13
最終更新日:2024-09-27
公開日:2024-05-22
識別子（ID）:8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7~{S})-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid
A1H59
A1H59
表記:~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide
組成式:C35 H40 N8 O4
SMILES:CNC(=O)[CH](Cc1ccncc1)NC(=O)C[CH](Cc2c[nH]c3ccccc23)NC(=O)[CH](CC4CCC4)NC(=O)c5ccnc(C=N)c5
InChi:InChI=1S/C35H40N8O4/c1-37-34(46)30(16-23-9-12-38-13-10-23)42-32(44)19-26(18-25-21-40-29-8-3-2-7-28(25)29)41-35(47)31(15-22-5-4-6-22)43-33(45)24-11-14-39-27(17-24)20-36/h2-3,7-14,17,20-22,26,30-31,36,40H,4-6,15-16,18-19H2,1H3,(H,37,46)(H,41,47)(H,42,44)(H,43,45)/b36-20+/t26-,30-,31+/m1/s1
定義日:2024-03-14
最終更新日:2024-09-27
公開日:2024-09-04
識別子（ID）:~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide
A1H5D
A1H5D
表記:Hydroxychloroquine
組成式:C18 H26 Cl N3 O
SMILES:CCN(CCO)CCC[CH](C)Nc1ccnc2cc(Cl)ccc12
InChi:InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/t14-/m1/s1
別名:2-[[(4~{R})-4-[(7-chloranylquinolin-4-yl)amino]pentyl]-ethyl-amino]ethanol
定義日:2024-02-27
最終更新日:2024-09-27
公開日:2024-10-02
識別子（ID）:2-[[(4~{R})-4-[(7-chloranylquinolin-4-yl)amino]pentyl]-ethyl-amino]ethanol
A1H5U
A1H5U
表記:(5aSa,17aRa)- 20-Chloro-2-[(2S,5R)-2,5-dimethyl-4-(prop-2-enoyl)piperazin-1-yl]-14,17-difluoro-6-(propan-2-yl)-11,12-dihydro-4H-1,18-(ethanediylidene)pyrido[4,3-e]pyrimido[1,6-g][1,4,7,9]benzodioxadiazacyclododecin-4-one
組成式:C32 H33 Cl F2 N6 O4
SMILES:CCC(=O)N1C[CH](C)N(C[CH]1C)C2=NC(=O)[N]3c4nc(c(Cl)cc24)c5c(F)ccc(F)c5OCCOc6ccnc(C(C)C)c36
InChi:InChI=1S/C32H33ClF2N6O4/c1-6-24(42)39-14-18(5)40(15-17(39)4)30-19-13-20(33)27-25-21(34)7-8-22(35)29(25)45-12-11-44-23-9-10-36-26(16(2)3)28(23)41(31(19)37-27)32(43)38-30/h7-10,13,16-18H,6,11-12,14-15H2,1-5H3/t17-,18+/m1/s1
別名:HYDROXYETHYLAMINE BACE INHIBITOR
定義日:2024-03-07
最終更新日:2024-09-27
公開日:2024-07-10
A1H5W
A1H5W
表記:3-azido-L-alanine
組成式:C3 H7 N4 O2
SMILES:N[CH](CN=[N+]=N)C(O)=O
InChi:InChI=1S/C3H6N4O2/c4-2(3(8)9)1-6-7-5/h2,5H,1,4H2/p+1/t2-/m0/s1
定義日:2024-03-08
最終更新日:2024-09-27
公開日:2024-06-05
識別子（ID）:azanylidene-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imino-azanium

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