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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 3-{5-[1-(3,4-dimethylbenzyl)-5-fluoro-1H-indol-3-yl]-1,2,4-oxadiazol-3-yl}-N-methylpyridin-2-amine 1377936-06-5 C25H22FN5O
    3-{5-[1-(3,4-dimethylbenzyl)-5-fluoro-1H-indol-3-yl]-1,2,4-oxadiazol-3-yl}-N-methylpyridin-2-amine
    —— 4-(3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-N,N-dimethylbenzamide 1266158-79-5 C27H23N5O2
    4-(3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl)-N,N-dimethylbenzamide
    —— methyl 7-methylspiro[4.5]dec-6-ene-6-carboxylate 1093269-32-9 C13H20O2
    methyl 7-methylspiro[4.5]dec-6-ene-6-carboxylate
    —— Pd(MeCN)2(OTf)2 137931-55-6 C6H6F6N2O6PdS2
    Pd(MeCN)2(OTf)2
    —— 6-(1-hydroxy-1-methylethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid 1379375-57-1 C9H9F3N2O3
    6-(1-hydroxy-1-methylethyl)-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
    —— 4-(dimethylamino)-N-(2-(4-(2-oxopyrrolidin-1-yl)phenyl)-1H-benzo[d]imidazol-5-yl)benzamide 1292824-09-9 C26H25N5O2
    4-(dimethylamino)-N-(2-(4-(2-oxopyrrolidin-1-yl)phenyl)-1H-benzo[d]imidazol-5-yl)benzamide
    —— N-[3-(2-amino-2-methylpropyl)benzyl]-3-(4-hydroxyphenyl)propanamide 887377-34-6 C20H26N2O2
    N-[3-(2-amino-2-methylpropyl)benzyl]-3-(4-hydroxyphenyl)propanamide
    —— BILR-355 metabolite M2 1426814-10-9 C15H14N4O3
    BILR-355 metabolite M2
    —— 7-((1R,2S)-2-aminocyclohexylamino)-5-(2-methyl-2H-indazol-4-ylamino)-3H-pyrido[3,4-d]pyridazin-4-one 1564272-46-3 C21H24N8O
    7-((1R,2S)-2-aminocyclohexylamino)-5-(2-methyl-2H-indazol-4-ylamino)-3H-pyrido[3,4-d]pyridazin-4-one
    —— (2-((6-(pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)amino)pyridin-4-yl)methanol 1377261-92-1 C18H15N5O
    (2-((6-(pyridin-3-yl)imidazo[1,2-a]pyridin-2-yl)amino)pyridin-4-yl)methanol
    —— 2-(4-heptylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one 1377240-01-1 C20H25F3N4O3S
    2-(4-heptylpiperazin-1-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
    —— (R)-8-Benzyl-2-(tert-butyl)-7,8-dihydro-4-(3-hydroxypropyl)-1H-imidazo[2,1-i]purin-5(4H)-one hydrochloride 348169-78-8 C21H27N5O2*ClH
    (R)-8-Benzyl-2-(tert-butyl)-7,8-dihydro-4-(3-hydroxypropyl)-1H-imidazo[2,1-i]purin-5(4H)-one hydrochloride
    —— N,N-dimethyl-1-{(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methanamine 1123239-47-3 C21H24N4
    N,N-dimethyl-1-{(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methanamine
    —— O-(2-methoxyethyl)quinine 577782-77-5 C23H30N2O3
    O-(2-methoxyethyl)quinine
    —— N,N,N'-trimethyl-N'-[2-(methyl{(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}amino)ethyl]sulfamide 1123240-67-4 C24H32N6O2S
    N,N,N'-trimethyl-N'-[2-(methyl{(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}amino)ethyl]sulfamide
    —— 5-{[(3-(4-trifluoromethylphenyl)-1H-pyrazol-4-yl)methyl]-amino}-indan-1-one 1091670-72-2 C20H16F3N3O
    5-{[(3-(4-trifluoromethylphenyl)-1H-pyrazol-4-yl)methyl]-amino}-indan-1-one
    —— N-(4-(4-(methylsulfonyl)piperazin-1-yl)pyridin-2-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine 1377261-83-0 C20H22N8O2S
    N-(4-(4-(methylsulfonyl)piperazin-1-yl)pyridin-2-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-amine
    —— {4-[2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-pyridin-2-yl}-urea 1375499-94-7 C15H12FN5O
    {4-[2-(3-fluoro-phenyl)-2H-pyrazol-3-yl]-pyridin-2-yl}-urea
    —— 4-(4-isopropoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-amine 1266156-67-5 C15H16N4O
    4-(4-isopropoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-amine
    —— N-acetyl-β-<(1S,4S)-1-hydroxycyclohex-2-en-4-yl>-(S)-alanine methyl ester 153833-01-3 C12H19NO4
    N-acetyl-β-<(1S,4S)-1-hydroxycyclohex-2-en-4-yl>-(S)-alanine methyl ester
    —— N-{2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl]ethaneyl}methanesulfonamide 1566591-78-3 C22H24ClN3O3S
    N-{2-[3-(4-chlorophenyl)-2-(2-methoxyphenyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazol-5-yl]ethaneyl}methanesulfonamide
    —— 7-((1R,2S)-2-aminocyclohexylamino)-5-(benzofuran-4-ylamino)-3H-pyrido[3,4-d]pyridazin-4-one 1564272-54-3 C21H22N6O2
    7-((1R,2S)-2-aminocyclohexylamino)-5-(benzofuran-4-ylamino)-3H-pyrido[3,4-d]pyridazin-4-one
    —— Volasertib trihydrochloride trihydrate 946161-18-8 C34H59Cl3N8O6
    Volasertib trihydrochloride trihydrate
    —— 4-({1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methyl)morpholine 1123238-98-1 C23H26N4O
    4-({1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methyl)morpholine
    —— (S)-6-hydroxy-2-(pyrrolidin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one 1131348-12-3 C13H16N2O2
    (S)-6-hydroxy-2-(pyrrolidin-3-yl)-3,4-dihydroisoquinolin-1(2H)-one
    —— (4R,5R)-2-(3-Cyclopropylidene-propyl)-2-ethynyl-4,5-bis-(1-methoxy-1-methyl-ethyl)-[1,3]dioxolane 583053-54-7 C19H30O4
    (4R,5R)-2-(3-Cyclopropylidene-propyl)-2-ethynyl-4,5-bis-(1-methoxy-1-methyl-ethyl)-[1,3]dioxolane
    —— 1-benzyl-N-(cyclopentylmethyl)-4-(1H-indazol-5-yl)-1H-1,2,3-triazole-5-carboxamide 1093304-92-7 C23H24N6O
    1-benzyl-N-(cyclopentylmethyl)-4-(1H-indazol-5-yl)-1H-1,2,3-triazole-5-carboxamide
    —— 5-carboxy-2,3,3-trimethyl-3H-indolium chloride 1134308-39-6 C12H13NO2*ClH
    5-carboxy-2,3,3-trimethyl-3H-indolium chloride
    —— 2-cyclopentylsulfamoyl-2-methyl-N-(5-trifluoromethyl-pyridin-2-yl)-propionamide 1151711-89-5 C15H20F3N3O3S
    2-cyclopentylsulfamoyl-2-methyl-N-(5-trifluoromethyl-pyridin-2-yl)-propionamide
    —— (1S,2R,3R,4S,5R,6S)-4-(acetylamino)-2-amino-3-{[(4-fluoro-3-methylphenyl)sulfanyl]methyl}bicyclo[3.1.0]hexane-2,6-dicarboxylic acid 1377615-53-6 C18H21FN2O5S
    (1S,2R,3R,4S,5R,6S)-4-(acetylamino)-2-amino-3-{[(4-fluoro-3-methylphenyl)sulfanyl]methyl}bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
    —— 4-nitrophenyl bis(2-thienylmethyl)carbamate 1378536-14-1 C17H14N2O4S2
    4-nitrophenyl bis(2-thienylmethyl)carbamate
    —— 4-[tert-butoxycarbonyl-(2-methoxyethyl)amino]piperidine-1-carboxylic acid benzyl ester 1376609-37-8 C21H32N2O5
    4-[tert-butoxycarbonyl-(2-methoxyethyl)amino]piperidine-1-carboxylic acid benzyl ester
    —— 3-(2-methoxyphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[4,3-a]pyridine 1377268-91-1 C19H14N4O3
    3-(2-methoxyphenyl)-6-(4-nitrophenyl)-[1,2,4]triazolo[4,3-a]pyridine
    —— 4-(4-phenoxyphenyl)-7-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-c]pyridin-3-amine 1266158-01-3 C25H17F3N4O2
    4-(4-phenoxyphenyl)-7-(4-(trifluoromethoxy)phenyl)-1H-pyrazolo[3,4-c]pyridin-3-amine
    —— 2-methoxy-N-(3-piperidin-1-yl-propyl)-4-[3-(3-trifluoromethyl-phenyl)-ureido]-benzamide 617245-38-2 C24H29F3N4O3
    2-methoxy-N-(3-piperidin-1-yl-propyl)-4-[3-(3-trifluoromethyl-phenyl)-ureido]-benzamide
    —— methyl 4-(N-methylamino)-8-amino-quinoline-2-carboxylate 495407-90-4 C12H13N3O2
    methyl 4-(N-methylamino)-8-amino-quinoline-2-carboxylate
    —— 2-{(3S)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl}-4-(2-naphthyl)pyrimidine 1123239-39-3 C24H29N5
    2-{(3S)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl}-4-(2-naphthyl)pyrimidine
    —— SMDC-304204 1073973-96-2 C23H27FN4O
    SMDC-304204
    —— 1-(3-bromo-2,6-dimethoxy-phenyl)-2-(2,6-dichloro-phenyl)-ethanone 872990-79-9 C16H13BrCl2O3
    1-(3-bromo-2,6-dimethoxy-phenyl)-2-(2,6-dichloro-phenyl)-ethanone
    —— 4-(5-(2,2,2-trifluoroethyl)amino-1H-benzimidazol-2-yl)-N-(4-morpholinophenyl)benzamide 1292826-94-8 C26H24F3N5O2
    4-(5-(2,2,2-trifluoroethyl)amino-1H-benzimidazol-2-yl)-N-(4-morpholinophenyl)benzamide
    —— 2-[(aminocarbonyl)amino]-5-[4-{({2-methyl}propylamino)methyl}phenyl]thiophene-3-carboxamide 728947-92-0 C17H22N4O2S
    2-[(aminocarbonyl)amino]-5-[4-{({2-methyl}propylamino)methyl}phenyl]thiophene-3-carboxamide
    —— 1-{4-[(quinolin-6-ylmethyl)amino]phenyl}butan-1-one 1091670-21-1 C20H20N2O
    1-{4-[(quinolin-6-ylmethyl)amino]phenyl}butan-1-one
    —— [(1R,3S,5R,10S,12R,15S,17S,19R,22R,24S)-21,21-bis(ethylsulfanyl)-22-formyl-2,6,11,18,23-pentaoxapentacyclo[15.9.0.03,12.05,10.019,24]hexacosan-15-yl] acetate 208454-44-8 C28H44O8S2
    [(1R,3S,5R,10S,12R,15S,17S,19R,22R,24S)-21,21-bis(ethylsulfanyl)-22-formyl-2,6,11,18,23-pentaoxapentacyclo[15.9.0.03,12.05,10.019,24]hexacosan-15-yl] acetate
    —— (1S,2S,3R)-2-methoxy-6-oxo-3-triethylsiloxycyclohexyl benzoate 166184-44-7 C20H30O5Si
    (1S,2S,3R)-2-methoxy-6-oxo-3-triethylsiloxycyclohexyl benzoate
    —— N-(3-{2-[((2R)-2-[4-(benzyloxy)-3-(hydroxymethyl)phenyl]-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}benzyl)benzenesulfonamide 887377-25-5 C39H52N2O5SSi
    N-(3-{2-[((2R)-2-[4-(benzyloxy)-3-(hydroxymethyl)phenyl]-2-{[tert-butyl(dimethyl)silyl]oxy}ethyl)amino]-2-methylpropyl}benzyl)benzenesulfonamide
    —— 3-((2R)-2-{[(1R)-1-phenylethyl]amino}propyl)benzonitrile hydrochloride 887377-48-2 C18H20N2*ClH
    3-((2R)-2-{[(1R)-1-phenylethyl]amino}propyl)benzonitrile hydrochloride
    —— 7-(benzyloxy)-4-bromo-1-(methylsulfonyl)-1H-indole 1001395-45-4 C16H14BrNO3S
    7-(benzyloxy)-4-bromo-1-(methylsulfonyl)-1H-indole
    —— 2-chloro-4-[1'-(5-methylpyrimidin-2-yl)-4,4'-bipiperidin-1-yl]benzonitrile 1039743-44-6 C22H26ClN5
    2-chloro-4-[1'-(5-methylpyrimidin-2-yl)-4,4'-bipiperidin-1-yl]benzonitrile
    —— 1-({(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methyl)piperidin-2-one 1123239-27-9 C24H26N4O
    1-({(3R)-1-[4-(2-naphthyl)pyrimidin-2-yl]pyrrolidin-3-yl}methyl)piperidin-2-one
    —— 2-(azetidine-1-sulfonyl)-2-methyl-N-(5-phenyl-4H-[1,2,4]triazol-3-yl)-propionamide 1151713-34-6 C15H19N5O3S
    2-(azetidine-1-sulfonyl)-2-methyl-N-(5-phenyl-4H-[1,2,4]triazol-3-yl)-propionamide