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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]-4-[2-(acetylamino)ethyl]piperazine 175425-16-8 C21H29N7O
    1-[3-(5-(1,2,4-triazol-4-yl)-1H-indol-3-yl)propyl]-4-[2-(acetylamino)ethyl]piperazine
    —— N-[2-(3,5-di-tert-butyl-4-hydroxyphenethyl)phenyl]-N'-(4-hexyloxyphenyl)urea 160355-75-9 C35H48N2O3
    N-[2-(3,5-di-tert-butyl-4-hydroxyphenethyl)phenyl]-N'-(4-hexyloxyphenyl)urea
    —— 6-methoxy-2-m-tolylquinolin-4(1H)-one 1032315-99-3 C17H15NO2
    6-methoxy-2-m-tolylquinolin-4(1H)-one
    —— methyl (2Z)-2-(5-ethyl-4-methyltriazol-1-yl)-2-(phenylhydrazinylidene)acetate 104369-65-5 C14H17N5O2
    methyl (2Z)-2-(5-ethyl-4-methyltriazol-1-yl)-2-(phenylhydrazinylidene)acetate
    —— 2-hydroxy-3-(1-methyl-2-piperidinyl)-2-phosphonopropanoic acid 152831-64-6 C9H18NO6P
    2-hydroxy-3-(1-methyl-2-piperidinyl)-2-phosphonopropanoic acid
    —— 2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyanopiperidine-1-carbonyl)-2,2-dimethylpropyl]amide 1334673-84-5 C28H34N6O5
    2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-1-(4-cyanopiperidine-1-carbonyl)-2,2-dimethylpropyl]amide
    —— 2-[1-(4-methoxybenzyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]benzonitrile 1333263-13-0 C22H19N3O3S
    2-[1-(4-methoxybenzyl)-3-methyl-2,2-dioxido-1,3-dihydro-2,1,3-benzothiadiazol-5-yl]benzonitrile
    —— methyl (22E)-3β-hydroxychol-5,22-dien-24-oate 164454-81-3 C25H38O3
    methyl (22E)-3β-hydroxychol-5,22-dien-24-oate
    —— N-(3,5-dichlorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine 1330625-62-1 C12H8Cl2N4
    N-(3,5-dichlorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine
    —— 2-(4-{6-[2-(2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyrazin-2-yl}-pyrazol-1-yl)-ethanol 1323917-88-9 C23H17FN6O
    2-(4-{6-[2-(2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyrazin-2-yl}-pyrazol-1-yl)-ethanol
    —— (2R,6S,9S)-6-methyl-2-prop-2-enyl-5,7-dioxa-1-azatricyclo[7.3.0.02,6]dodecan-4-one 1294502-09-2 C13H19NO3
    (2R,6S,9S)-6-methyl-2-prop-2-enyl-5,7-dioxa-1-azatricyclo[7.3.0.02,6]dodecan-4-one
    —— 4-(3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl)-N,N-dimethylbenzenesulfonamide 1334470-40-4 C26H36N2O6S
    4-(3-(3,5-dimethylpiperidin-1-yl)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-oxopropyl)-N,N-dimethylbenzenesulfonamide
    —— 4-{{6-butyl-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4-yl}oxy}-butanamide 1332766-21-8 C28H31N5O4
    4-{{6-butyl-2-methyl-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4-yl}oxy}-butanamide
    —— [4-[[2-(2,5-Difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridin-3-yl]methanol 1330532-11-0 C20H14F2N4O
    [4-[[2-(2,5-Difluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridin-3-yl]methanol
    —— [8-(6-dimethylamino-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[1-(6-methyl-pyrimidin-4-yl)-piperidin-4-yl]-amine 1329670-39-4 C23H27N9
    [8-(6-dimethylamino-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[1-(6-methyl-pyrimidin-4-yl)-piperidin-4-yl]-amine
    —— 3-hydroxy-3-methylspiro[4.5]decan-2-one 1383255-01-3 C11H18O2
    3-hydroxy-3-methylspiro[4.5]decan-2-one
    —— 2-nitro-7,12-dihydro-5H-6,12-methanodibenz<c,f>azocine 106889-68-3 C16H14N2O2
    2-nitro-7,12-dihydro-5H-6,12-methanodibenz<c,f>azocine
    —— 2-Phenyl-4-amino-6,8-dioxo-6,7,8,9-tetrahydropyrimido<5.4-g>pteridin 19805-45-9 C14H9N7O2
    2-Phenyl-4-amino-6,8-dioxo-6,7,8,9-tetrahydropyrimido<5.4-g>pteridin
    —— 2-(6-(8-(5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyridin-6-yl)-1H-indazol-3-yl)ethanol 1333508-35-2 C27H30N8O
    2-(6-(8-(5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino)imidazo[1,2-a]pyridin-6-yl)-1H-indazol-3-yl)ethanol
    —— 2-(piperidin-1-yl)ethyl (E)-6-[1,3-dihydro-4-(3,3-diethyl)ureido-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl]-4-methyl-4-hexenoate 1238173-36-8 C29H43N3O6
    2-(piperidin-1-yl)ethyl (E)-6-[1,3-dihydro-4-(3,3-diethyl)ureido-6-methoxy-7-methyl-3-oxoisobenzofuran-5-yl]-4-methyl-4-hexenoate
    —— 4-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]-2-(3-methoxy-benzyl)-5-phenyl-2,4-dihydro-pyrazol-3-one 179110-16-8 C25H20N2O4
    4-[1-Benzo[1,3]dioxol-5-yl-meth-(Z)-ylidene]-2-(3-methoxy-benzyl)-5-phenyl-2,4-dihydro-pyrazol-3-one
    —— 4-chloro-6-(1,1-dimethylethyl)-2-(5-methyl-2-pyridinyl)pyrimidine 1373424-16-8 C14H16ClN3
    4-chloro-6-(1,1-dimethylethyl)-2-(5-methyl-2-pyridinyl)pyrimidine
    —— anthraquinone-1-carboxylic acid (4-[2,2':6',2'']terpyridine-4'-yl-phenyl)amide 1002314-71-7 C36H22N4O3
    anthraquinone-1-carboxylic acid (4-[2,2':6',2'']terpyridine-4'-yl-phenyl)amide
    —— 4-(4-Aminophenoxy)azetidin-2-one 1909336-73-7 C9H10N2O2
    4-(4-Aminophenoxy)azetidin-2-one
    —— (2aS,6aR,8aS,8bR)-hexahydro-8b-(3-tert-butyldimethylsiloxypropyl)-4H-1,3,8-trioxa-3a-azadicyclopenta[a,gh]pentalen-2(2aH)-one 1294502-19-4 C18H31NO5Si
    (2aS,6aR,8aS,8bR)-hexahydro-8b-(3-tert-butyldimethylsiloxypropyl)-4H-1,3,8-trioxa-3a-azadicyclopenta[a,gh]pentalen-2(2aH)-one
    —— [(1S,2R,5R,6R,7S,8R,10R)-7-acetyloxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate 1309373-95-2 C19H30O6
    [(1S,2R,5R,6R,7S,8R,10R)-7-acetyloxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl] 2-hydroxyacetate
    —— (S)-6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid {3-[4-(4-bromo-2-trifluoromethyl-phenylamino)-benzylcarbamoyl]-tetrahydrofuran-3-yl}-amide 1242455-76-0 C24H21BrF3N5O4
    (S)-6-oxo-1,6-dihydro-pyridazine-4-carboxylic acid {3-[4-(4-bromo-2-trifluoromethyl-phenylamino)-benzylcarbamoyl]-tetrahydrofuran-3-yl}-amide
    —— 3-((4-(3-(2-chloro-4-fluorophenoxy)-1-azetidinyl)-2-pyrimidinyl)amino)-N-methylbenzamide 1332302-18-7 C21H19ClFN5O2
    3-((4-(3-(2-chloro-4-fluorophenoxy)-1-azetidinyl)-2-pyrimidinyl)amino)-N-methylbenzamide
    —— ML273 Analog 1428630-81-2 C15H16N2O2
    ML273 Analog
    —— 1-allyl-3-(allylthio)-1H-1,2,4-triazole 1333412-26-2 C8H11N3S
    1-allyl-3-(allylthio)-1H-1,2,4-triazole
    —— 2-(2-cyano-N-(1-(3',5'-dichlorobiphenyl-3-yl)cyclobutyl)phenylsulfonamido)acetic acid 1331730-29-0 C25H20Cl2N2O4S
    2-(2-cyano-N-(1-(3',5'-dichlorobiphenyl-3-yl)cyclobutyl)phenylsulfonamido)acetic acid
    —— 2-(4-Bromophenyl)-9,10-di(naphthalen-2-yl)anthracene 1227867-75-5 C40H25Br
    2-(4-Bromophenyl)-9,10-di(naphthalen-2-yl)anthracene
    —— 2-[[1-(4-Tert-butylphenyl)triazole-4-carbonyl]amino]-3-(4-cyano-3-fluorophenyl)propanoic acid 1323993-55-0 C23H22FN5O3
    2-[[1-(4-Tert-butylphenyl)triazole-4-carbonyl]amino]-3-(4-cyano-3-fluorophenyl)propanoic acid
    —— (2S)-4-amino-2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]-4-oxobutanoic acid 1021900-05-9 C35H38N4O7
    (2S)-4-amino-2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]-4-oxobutanoic acid
    —— 2-[5-[2-[7-(3-Chlorophenyl)-2,7-diazaspiro[4.4]nonan-2-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid 1246749-21-2 C19H20ClN7O2S
    2-[5-[2-[7-(3-Chlorophenyl)-2,7-diazaspiro[4.4]nonan-2-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
    —— 3-{4-[(4-fluorobenzyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}-N-[2-(piperidin-1-yl)ethyl]benzamide 1174125-30-4 C26H28F4N6O2
    3-{4-[(4-fluorobenzyl)amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl}-N-[2-(piperidin-1-yl)ethyl]benzamide
    —— [4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone 1321607-79-7 C29H31FN6O
    [4-[5-[2-(6-Aminopyridin-3-yl)ethynyl]-6-ethylpyrimidin-4-yl]-2-fluorophenyl]-(4-cyclopentylpiperazin-1-yl)methanone
    —— 1-(cyclopropylmethyl)-3-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide 1333262-93-3 C22H27N3O3S
    1-(cyclopropylmethyl)-3-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide
    —— cyclo[-D-Tyr-Arg-Arg-Nal-ψ[C(=NH)-NH]-Gly-] 1292807-71-6 C36H48N12O5
    cyclo[-D-Tyr-Arg-Arg-Nal-ψ[C(=NH)-NH]-Gly-]
    —— —— 1338465-25-0 C27H48FN5O4Si2
    —— —— 1093373-41-1 C45H30F6N3PtS2*F6P
    —— (DMSO)2Fe(protoporphyrin IX) 154889-01-7 C38H44FeN4O6S2
    (DMSO)2Fe(protoporphyrin IX)
    —— dimethyl 3-[2-(tert-butyldimethylsilanyloxy)-(1S)-phenylethylamino]pent-2-enedioate 1343468-58-5 C21H33NO5Si
    dimethyl 3-[2-(tert-butyldimethylsilanyloxy)-(1S)-phenylethylamino]pent-2-enedioate
    —— —— 1196445-34-7 C26H18N4
    —— 2-dimethylamino-4-oxo-4-phenyl-butyric acid 100390-68-9 C12H15NO3
    2-dimethylamino-4-oxo-4-phenyl-butyric acid
    —— 6-cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [2-(1-methyl-piperidin-4-yl)-5-pyridin-2-yl-2H-pyrazol-3-yl]-amide 1316121-35-3 C27H29N9O
    6-cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [2-(1-methyl-piperidin-4-yl)-5-pyridin-2-yl-2H-pyrazol-3-yl]-amide
    —— 2-(4-Ethylthiophen-2-yl)-6-fluorobenzoic acid 1261969-88-3 C13H11FO2S
    2-(4-Ethylthiophen-2-yl)-6-fluorobenzoic acid
    —— 2-Chloro-4-(2-methylthiophen-3-yl)benzoic acid 1237089-82-5 C12H9ClO2S
    2-Chloro-4-(2-methylthiophen-3-yl)benzoic acid
    —— S-((9H-fluoren-9-yl)methyl) 4-(trifluoromethoxy)benzothioate 1356496-25-7 C22H15F3O2S
    S-((9H-fluoren-9-yl)methyl) 4-(trifluoromethoxy)benzothioate
    —— 6-Acetyl-7-methyl-4-hydroxy-6,7-dihydro-5H-pyrrolo<3,4-d>pyrimidin 15199-07-2 C9H11N3O2
    6-Acetyl-7-methyl-4-hydroxy-6,7-dihydro-5H-pyrrolo<3,4-d>pyrimidin