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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 5-{6-[(1-hydroxymethyl-cyclopropylamino)-methyl]-pyrimidin-4-yloxy}-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide 1229448-91-2 C25H22F3N5O3
    5-{6-[(1-hydroxymethyl-cyclopropylamino)-methyl]-pyrimidin-4-yloxy}-indole-1-carboxylic acid (3-trifluoromethyl-phenyl)-amide
    —— N-[3-ethyl-5-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 1095717-34-2 C37H37N5O2
    N-[3-ethyl-5-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
    —— N-cyclopropyl-4-{6-(pyridin-4-yl)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide 1383119-47-8 C24H21F3N6O
    N-cyclopropyl-4-{6-(pyridin-4-yl)-8-[(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
    —— (R)-1-benzyl-3-((R)-1-hydroxy-2-oxopropyl)-5-methoxy-3-(4-methoxyphenylamino)indolin-2-one 1369382-67-1 C26H26N2O5
    (R)-1-benzyl-3-((R)-1-hydroxy-2-oxopropyl)-5-methoxy-3-(4-methoxyphenylamino)indolin-2-one
    —— 2-(hydroxymethyl)-N,N-bis(3-methoxybenzyl)thiophene-3-sulfonamide 1378535-95-5 C21H23NO5S2
    2-(hydroxymethyl)-N,N-bis(3-methoxybenzyl)thiophene-3-sulfonamide
    —— 1,3-Dihydro-1-(4-chlorophenyl)-3-(phenylmethyl)-3-(4-pyridinylmethyl)-2H-pyrrolo[2,3-b]pyridin-2-one 157531-91-4 C26H20ClN3O
    1,3-Dihydro-1-(4-chlorophenyl)-3-(phenylmethyl)-3-(4-pyridinylmethyl)-2H-pyrrolo[2,3-b]pyridin-2-one
    —— 3-ethyl-4-isopropyl-3-methyl-cyclohexanone 100249-95-4 C12H22O
    3-ethyl-4-isopropyl-3-methyl-cyclohexanone
    —— 3-(2-Aminoethyl)-5-[4-(3-hydroxyisoindolin-1-on-2-yl)butyloxy]-1H-indole 194719-47-6 C22H25N3O3
    3-(2-Aminoethyl)-5-[4-(3-hydroxyisoindolin-1-on-2-yl)butyloxy]-1H-indole
    —— 7-(2-methyl-1H-benzimidazol-6-yl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine 1257299-63-0 C28H28N6O4
    7-(2-methyl-1H-benzimidazol-6-yl)-4-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine
    —— 1'-(3'-azido-2',3'-dideoxy-5'-O-TBS-β-D-threo-pentofuranosyl)-C4-(1,2,4-triazol-1-yl)pyrimidine 1254809-13-6 C18H28N8O3Si
    1'-(3'-azido-2',3'-dideoxy-5'-O-TBS-β-D-threo-pentofuranosyl)-C4-(1,2,4-triazol-1-yl)pyrimidine
    —— dimethyl (2,5-thienediylbis{1H-benzimidazole-5,2-diyl(2S)-2,1-pyrrolidinediyl[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate 1256385-72-4 C40H48N8O6S
    dimethyl (2,5-thienediylbis{1H-benzimidazole-5,2-diyl(2S)-2,1-pyrrolidinediyl[(2S)-3-methyl-1-oxo-1,2-butanediyl]})biscarbamate
    —— (R)-5-(3'-chlorophenyl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline 1257243-78-9 C18H18ClNO
    (R)-5-(3'-chlorophenyl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline
    —— 7-(2-[pyridin-2-yl]-1H-benzimidazol-6-yl)-4-(quinolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine 1256784-06-1 C30H23N5O
    7-(2-[pyridin-2-yl]-1H-benzimidazol-6-yl)-4-(quinolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
    —— 5-(6,7,8,9-tetrahydro-5H-1,3,6-triaza-benzocyclohepten-4-yloxy)-indole-1-carboxylic acid (4,4-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-amide 1229452-64-5 C25H27N7O2
    5-(6,7,8,9-tetrahydro-5H-1,3,6-triaza-benzocyclohepten-4-yloxy)-indole-1-carboxylic acid (4,4-dimethyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-amide
    —— N-[3-ethyl-5-(1,3-thiazol-2-yl)phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide 1095716-94-1 C31H28N6OS
    N-[3-ethyl-5-(1,3-thiazol-2-yl)phenyl]-4-(2-methylphenyl)-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
    —— 7-methoxycarbonyl-2-tert-butoxycarbonylmethyl-isoquinolinium bromide 178262-32-3 Br*C17H20NO4
    7-methoxycarbonyl-2-tert-butoxycarbonylmethyl-isoquinolinium bromide
    —— (1R,2R,3R,4S,6S,10S,13S,14R)-11-ethyl-3-hydroxy-2-methyl-14-propan-2-yl-5,8-dioxa-11-azahexacyclo[8.6.1.01,13.02,6.04,13.06,10]heptadecane-12,16-dione 1251859-80-9 C20H27NO5
    (1R,2R,3R,4S,6S,10S,13S,14R)-11-ethyl-3-hydroxy-2-methyl-14-propan-2-yl-5,8-dioxa-11-azahexacyclo[8.6.1.01,13.02,6.04,13.06,10]heptadecane-12,16-dione
    —— TH1626 1258494-85-7 C25H27N3O6Si
    TH1626
    —— 3-N-(4-methoxybenzoyl)-3-deoxy-1,2-O-isopropylidene-α-D-allofuranose 1144047-10-8 C17H23NO7
    3-N-(4-methoxybenzoyl)-3-deoxy-1,2-O-isopropylidene-α-D-allofuranose
    —— (RS)-N-{(4-methylphenyl)[3-(trifluoromethyl)phenyl]methyl}-2-oxo-2-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)ethanamine 1039165-21-3 C29H29F3N2O2
    (RS)-N-{(4-methylphenyl)[3-(trifluoromethyl)phenyl]methyl}-2-oxo-2-(1'H,3H-spiro[2-benzofuran-1,4'-piperidin]-1'-yl)ethanamine
    —— 3-methoxy-3,4-dihydro-asperuloside tetraacetate 128883-74-9 C27H34O16
    3-methoxy-3,4-dihydro-asperuloside tetraacetate
    —— (E)-β-(2-phenylethoxy)vinyl iodide 1253390-71-4 C10H11IO
    (E)-β-(2-phenylethoxy)vinyl iodide
    —— (Z)-3-(4-methoxyphenyl)-4,4-dimethylpent-2-enenitrile 1391868-30-6 C14H17NO
    (Z)-3-(4-methoxyphenyl)-4,4-dimethylpent-2-enenitrile
    —— (R)-3-Methylene-non-8-en-4-ol 125541-67-5 C10H18O
    (R)-3-Methylene-non-8-en-4-ol
    —— (2R,3S)-4-(((4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)amino)-3-((2-fluorophenyl)amino)-4-phenyl-2-butanol 1154096-57-7 C31H37FN2O2
    (2R,3S)-4-(((4S)-6-ethyl-3,4-dihydrospiro[chromene-2,1'-cyclopentan]-4-yl)amino)-3-((2-fluorophenyl)amino)-4-phenyl-2-butanol
    —— 4-(2-(2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy)acetamido)-4’-cyanobiphenyl-3-carboxylic acid sodium salt 1103927-06-5 C35H31N4O5*Na
    4-(2-(2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy)acetamido)-4’-cyanobiphenyl-3-carboxylic acid sodium salt
    —— 1-chloro-3-cyclopropyl-8-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl ester 1202691-16-4 C23H26ClF4N3O2
    1-chloro-3-cyclopropyl-8-[2-(4-fluoro-3-trifluoromethyl-phenyl)-ethyl]-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-7-carboxylic acid tert-butyl ester
    —— 2-(thiophen-2-yl)-N-{3-[3-(2-{[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}pyrimidin-4-yl)imidazo[l,2-a]pyridin-2-yl]phenyl}acetamide 1301135-69-2 C32H25N9OS
    2-(thiophen-2-yl)-N-{3-[3-(2-{[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]amino}pyrimidin-4-yl)imidazo[l,2-a]pyridin-2-yl]phenyl}acetamide
    —— (4-(4-chlorophenoxy)piperidin-1-yl)(3-(2-methylthiazol-4-yl)phenyl)methanone 1304780-68-4 C22H21ClN2O2S
    (4-(4-chlorophenoxy)piperidin-1-yl)(3-(2-methylthiazol-4-yl)phenyl)methanone
    —— 1-cyano-1-piperidinocarbonyl-3-[4-(3-chloro-5-trifluoromethyl-pyridin-2-yloxy)phenoxy]-2-butanone 160190-60-3 C23H21ClF3N3O4
    1-cyano-1-piperidinocarbonyl-3-[4-(3-chloro-5-trifluoromethyl-pyridin-2-yloxy)phenoxy]-2-butanone
    —— 3-[3-(2'-butoxy-5'-methoxy-2-methyl-biphenyl-4-ylmethoxy)-phenyl]-propionic acid 1142214-34-3 C28H32O5
    3-[3-(2'-butoxy-5'-methoxy-2-methyl-biphenyl-4-ylmethoxy)-phenyl]-propionic acid
    —— (5S)-5-[[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one 1146356-25-3 C24H28N6O3S
    (5S)-5-[[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
    —— 2-methyl-5-[4-methyl-5-(methyl{(1S)-1-[5-(3-methylphenyl)isoxazol-3-yl]ethyl}amino)-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one 1147756-51-1 C21H23N7O2
    2-methyl-5-[4-methyl-5-(methyl{(1S)-1-[5-(3-methylphenyl)isoxazol-3-yl]ethyl}amino)-4H-1,2,4-triazol-3-yl]pyridazin-3(2H)-one
    —— (6R,12aS)-2-{2-[(2-hydroxyethyl)(methyl)amino]ethyl}-6-(3-hydroxyphenyl)-10-methoxy-12a-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione 1121576-25-7 C27H32N4O5
    (6R,12aS)-2-{2-[(2-hydroxyethyl)(methyl)amino]ethyl}-6-(3-hydroxyphenyl)-10-methoxy-12a-methyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
    —— methyl 4,6-O-benzylidene-2-O-(4-methoxybenzyl)-β-D-mannopyranosyl-(1->6)-2,3,4-tri-O-benzyl-α-D-glucopyranoside 1133292-65-5 C49H54O12
    methyl 4,6-O-benzylidene-2-O-(4-methoxybenzyl)-β-D-mannopyranosyl-(1->6)-2,3,4-tri-O-benzyl-α-D-glucopyranoside
    —— CHEMBL484608 1160872-32-1 C20H25NO
    CHEMBL484608
    —— N-(2,3-dihydroxy-propyl)-N'-[3-({3-[(2,3-dihydroxy-propyl)-(2-hydroxy-ethyl)-carbamoyl]-5-(2-hydroxy-acetylamino)-2,4,6-triiodo-benzoyl}-methyl-amino)-propyl]-5-(2-hydroxy-acetylamino)-N-(2-hydroxy-ethyl)-2,4,6-triiodo-N'-methyl-isophthalamide 1143450-69-4 C35H44I6N6O14
    N-(2,3-dihydroxy-propyl)-N'-[3-({3-[(2,3-dihydroxy-propyl)-(2-hydroxy-ethyl)-carbamoyl]-5-(2-hydroxy-acetylamino)-2,4,6-triiodo-benzoyl}-methyl-amino)-propyl]-5-(2-hydroxy-acetylamino)-N-(2-hydroxy-ethyl)-2,4,6-triiodo-N'-methyl-isophthalamide
    —— 3-(6-(1-(4'-(trifluoromethyl)biphenyl-4-ylamino)ethyl)nicotinamido) propanoic acid 1383800-22-3 C24H22F3N3O3
    3-(6-(1-(4'-(trifluoromethyl)biphenyl-4-ylamino)ethyl)nicotinamido) propanoic acid
    —— 2-(6-bromo-4-methyl-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-ylmethyl)-isoindole-1,3-dione 1206515-77-6 C13H9BrN4O4
    2-(6-bromo-4-methyl-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-ylmethyl)-isoindole-1,3-dione
    —— 2-Hydroxy-4-(5-methylthiophen-2-yl)benzoic acid 1349846-92-9 C12H10O3S
    2-Hydroxy-4-(5-methylthiophen-2-yl)benzoic acid
    —— 6-[[4-Chloro-6-(13-hexadecyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-yl]amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one 1379115-32-8 C49H65ClN6O8
    6-[[4-Chloro-6-(13-hexadecyl-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-yl]amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
    —— 4,5-difluoro-2-[2-(4-methylsulfonylpiperidin-1-yl)pyridin-3-yl]-1H-benzimidazole 1146523-63-8 C18H18F2N4O2S
    4,5-difluoro-2-[2-(4-methylsulfonylpiperidin-1-yl)pyridin-3-yl]-1H-benzimidazole
    —— 4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine 1160872-29-6 C19H22FNO
    4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
    —— {2-[2-(4-chloro-phenoxy)-2-(4-cyclopropane-sulfonyl-phenyl)acetyl-amino]thiazol-4-yl}acetic acid 1143513-57-8 C22H19ClN2O6S2
    {2-[2-(4-chloro-phenoxy)-2-(4-cyclopropane-sulfonyl-phenyl)acetyl-amino]thiazol-4-yl}acetic acid
    —— 2-chloro-4-(5-{4-(2-methylpiperidin-1-yl)-3-[(methylsulfonyl)amino]phenyl}-1,2,4-oxadiazol-3-yl)benzoic acid 1141472-41-4 C22H23ClN4O5S
    2-chloro-4-(5-{4-(2-methylpiperidin-1-yl)-3-[(methylsulfonyl)amino]phenyl}-1,2,4-oxadiazol-3-yl)benzoic acid
    —— (2R)-2-[5-[(4-chlorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide 1140488-43-2 C26H26ClF3N4O
    (2R)-2-[5-[(4-chlorophenyl)methyl]-2-methylpyrimidin-4-yl]-N-[2,6-dimethyl-4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
    —— —— 1006629-41-9 C20H16O2
    —— 2,4-bis(furan-2-yl)-6-(oct-1-ynyl)-1,3,5-triazine 1338826-76-8 C19H19N3O2
    2,4-bis(furan-2-yl)-6-(oct-1-ynyl)-1,3,5-triazine
    —— —— 1192233-22-9 C33H50O3Si
    —— —— 1426222-84-5 C20H20N2O