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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 2-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one 862120-58-9 C23H32F3N3O3
    2-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
    —— {1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-1-(3,5-difluorophenyl)propan-2-ol 820969-77-5 C25H23Cl2F2NO
    {1-[bis(4-chlorophenyl)methyl]azetidin-3-yl}-1-(3,5-difluorophenyl)propan-2-ol
    —— 3,5,7-trimethyl-2H-furo[2,3-c]pyran-2-one 857054-08-1 C10H10O3
    3,5,7-trimethyl-2H-furo[2,3-c]pyran-2-one
    —— Isoxazole, 4-[(4-nitrophenoxy)methyl]- 805233-35-6 C10H8N2O4
    Isoxazole, 4-[(4-nitrophenoxy)methyl]-
    —— 4-(Methoxymethoxy)-2,3-dimethyl-6-(trideuteriomethyl)phenol 816456-23-2 C11H16O3
    4-(Methoxymethoxy)-2,3-dimethyl-6-(trideuteriomethyl)phenol
    —— (Z)-1-(2,6-dichlorophenyl)-4-tributylstannylbut-2-en-1-ol 846541-44-4 C22H36Cl2OSn
    (Z)-1-(2,6-dichlorophenyl)-4-tributylstannylbut-2-en-1-ol
    —— [Ile<sup>7</sup>]-polymyxin B<sub>1</sub> 811435-10-6 C56H98N16O13
    [Ile<sup>7</sup>]-polymyxin B<sub>1</sub>
    —— N-(2-aminoethyl)-4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyramide 861959-92-4 C23H36N4O6S2
    N-(2-aminoethyl)-4-(4-{(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidine-1-carbonyl}-2-methoxy-5-nitrophenoxy)butyramide
    —— H-Leu-Gly-Thr-Val-Ser-Leu-Thr-His-OH 823783-58-0 C36H62N10O12
    H-Leu-Gly-Thr-Val-Ser-Leu-Thr-His-OH
    —— (6'-azido-3'-O-benzyl-6'-deoxy-2',4'-di-O-methoxymethyl-α-D-glucopyranosyl)ethanoic acid 854377-20-1 C19H27N3O8
    (6'-azido-3'-O-benzyl-6'-deoxy-2',4'-di-O-methoxymethyl-α-D-glucopyranosyl)ethanoic acid
    —— (2S,3S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(tert-butyldimethylsilyloxy)hex-5-enoic acid methyl ester 850494-60-9 C25H41NO5Si
    (2S,3S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(tert-butyldimethylsilyloxy)hex-5-enoic acid methyl ester
    —— 4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide 858117-28-9 C14H11N3O
    4-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
    —— 2-(1-cyclopentylpiperidin-4-yloxy)-5-(dibenzofuran-4-yl)pyrimidine 832734-91-5 C26H27N3O2
    2-(1-cyclopentylpiperidin-4-yloxy)-5-(dibenzofuran-4-yl)pyrimidine
    —— 4-(2,3-dimethyl-4-propoxy-benzylidene)-pyrazolidine-3,5-dione 820238-68-4 C15H18N2O3
    4-(2,3-dimethyl-4-propoxy-benzylidene)-pyrazolidine-3,5-dione
    —— ethyl (4,6-dimethoxyindol-3-yl)acetate 827024-91-9 C14H17NO4
    ethyl (4,6-dimethoxyindol-3-yl)acetate
    —— (E)-(S)-5-(tert-Butyl-dimethyl-silanyloxy)-6-[(2R,6S)-6-((2S,3R)-2-methoxy-3-methyl-4-trimethylsilanyloxy-pent-4-enyl)-5,6-dihydro-2H-pyran-2-yl]-2-methyl-hex-2-enoic acid methyl ester 860295-61-0 C29H54O6Si2
    (E)-(S)-5-(tert-Butyl-dimethyl-silanyloxy)-6-[(2R,6S)-6-((2S,3R)-2-methoxy-3-methyl-4-trimethylsilanyloxy-pent-4-enyl)-5,6-dihydro-2H-pyran-2-yl]-2-methyl-hex-2-enoic acid methyl ester
    —— 1,1'-([1,1'-Biphenyl]-4,4'-diylbis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolin-1-ium) bromide 850807-63-5 C46H38Br2Cl2N4
    1,1'-([1,1'-Biphenyl]-4,4'-diylbis(methylene))bis(4-((4-chlorophenyl)(methyl)amino)quinolin-1-ium) bromide
    —— 1,3,5-Triazine-2,4,6-tricarboximidamide 847399-13-7 C6H9N9
    1,3,5-Triazine-2,4,6-tricarboximidamide
    —— phenyl 6-O-benzyl-3-O-[(R)-3-(benzyloxy)decanoyl]-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-1-thio-α-D-(1-<sup>13</sup>C)glucopyranoside 832738-52-0 C39H48Cl3NO8S
    phenyl 6-O-benzyl-3-O-[(R)-3-(benzyloxy)decanoyl]-2-deoxy-2-(2,2,2-trichloroethoxycarbonylamino)-1-thio-α-D-(1-<sup>13</sup>C)glucopyranoside
    —— 5-[(R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-(tert-butyl-diphenyl-silanyloxy)-butane-1-sulfonyl]-1-phenyl-1H-tetrazole 860437-85-0 C33H46N4O4SSi2
    5-[(R)-4-(tert-Butyl-dimethyl-silanyloxy)-3-(tert-butyl-diphenyl-silanyloxy)-butane-1-sulfonyl]-1-phenyl-1H-tetrazole
    —— picolinamide-4,6-d2 850264-42-5 C6H6N2O
    picolinamide-4,6-d2
    —— Cyanamide, [4-amino-5-cyano-6-(methylthio)-2-pyrimidinyl]- 85813-68-9 C7H6N6S
    Cyanamide, [4-amino-5-cyano-6-(methylthio)-2-pyrimidinyl]-
    —— (E)-9-{[(2,2-hydroxymethyl)cyclopropylidene]methyl}guanine (methylphenylphosphoryl) P-N-L-alaninate 841275-68-1 C21H25N6O7P
    (E)-9-{[(2,2-hydroxymethyl)cyclopropylidene]methyl}guanine (methylphenylphosphoryl) P-N-L-alaninate
    —— 2-Diphenylphosphoryl-1-(2-diphenylphosphoryl-5-nitronaphthalen-1-yl)-5-nitronaphthalene 845892-20-8 C44H30N2O6P2
    2-Diphenylphosphoryl-1-(2-diphenylphosphoryl-5-nitronaphthalen-1-yl)-5-nitronaphthalene
    —— 2-Furancarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-5-nitro- 831203-90-8 C13H10N2O6
    2-Furancarboxamide, N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-
    —— 1-{3-[((E)-But-2-enyl)oxy]-prop-1-ynyl}-4-chloro-benzene 837365-63-6 C13H13ClO
    1-{3-[((E)-But-2-enyl)oxy]-prop-1-ynyl}-4-chloro-benzene
    —— 4-(2-(5-oxo-4,5-dihydro-1,2,4-thiadiazol-3-yl)-8-{[4-(4-phenylbutoxy)benzoyl]amino}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid 847657-44-7 C31H32N4O6S
    4-(2-(5-oxo-4,5-dihydro-1,2,4-thiadiazol-3-yl)-8-{[4-(4-phenylbutoxy)benzoyl]amino}-2,3-dihydro-4H-1,4-benzoxazin-4-yl)butanoic acid
    —— Boc-gGly-mAib-OBn 813415-06-4 C18H26N2O5
    Boc-gGly-mAib-OBn
    —— 1-(4-Bromo-phenyl)-4-cyclopentyl-piperazine 844431-62-5 C15H21BrN2
    1-(4-Bromo-phenyl)-4-cyclopentyl-piperazine
    —— Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2-fluorophenyl)- 858117-58-5 C14H8BrFN2O
    Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(2-fluorophenyl)-
    —— 1,3-dimethyl-5-(3-methyl-thiophen-2-yl)-1H-pyrazolo[4,3-c]isoquinoline 824968-34-5 C17H15N3S
    1,3-dimethyl-5-(3-methyl-thiophen-2-yl)-1H-pyrazolo[4,3-c]isoquinoline
    —— ethyl [(5R)-3-benzoyl-2-oxo-1,3-oxazolidin-5-yl]acetate 851387-83-2 C14H15NO5
    ethyl [(5R)-3-benzoyl-2-oxo-1,3-oxazolidin-5-yl]acetate
    —— 1-[4-(4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-thiazol-4-ylmethoxy}-phenyl)-butyl]-1H-[1,2,3]triazole 864548-44-7 C25H23F3N4O2S2
    1-[4-(4-{2-[(E)-2-(4-trifluoromethanesulfinyl-phenyl)-vinyl]-thiazol-4-ylmethoxy}-phenyl)-butyl]-1H-[1,2,3]triazole
    —— [(2R,7R,9R)-8-[(1R,2S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methylphenyl]-1-cyano-2-(prop-2-enoxycarbonylamino)propyl]-4,4,16-trimethyl-17-prop-2-enoxy-3,5,12,14-tetraoxa-8-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),10,15-trien-9-yl]methyl (2R)-2-(2,2,2-trichloroethoxycarbonylamino)-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoate 854022-33-6 C69H83Cl3N4O16SSi
    [(2R,7R,9R)-8-[(1R,2S)-3-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-methylphenyl]-1-cyano-2-(prop-2-enoxycarbonylamino)propyl]-4,4,16-trimethyl-17-prop-2-enoxy-3,5,12,14-tetraoxa-8-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),10,15-trien-9-yl]methyl (2R)-2-(2,2,2-trichloroethoxycarbonylamino)-3-[tris(4-methoxyphenyl)methylsulfanyl]propanoate
    —— (1R,11S,13R)-7-(tert-Butyl-dimethyl-silanyloxy)-11-[3-(tert-butyl-dimethyl-silanyloxy)-propyl]-10,17-dioxa-tricyclo[11.3.1.0<sup>3,8</sup>]heptadeca-3(8),4,6-trien-9-one 857253-65-7 C30H52O5Si2
    (1R,11S,13R)-7-(tert-Butyl-dimethyl-silanyloxy)-11-[3-(tert-butyl-dimethyl-silanyloxy)-propyl]-10,17-dioxa-tricyclo[11.3.1.0<sup>3,8</sup>]heptadeca-3(8),4,6-trien-9-one
    —— 5-(6-chloro-pyridin-3-yl)-3-methyl-1H-pyrazolo[4,3-c]isoquinoline 824968-43-6 C16H11ClN4
    5-(6-chloro-pyridin-3-yl)-3-methyl-1H-pyrazolo[4,3-c]isoquinoline
    —— Benzenesulfonamide, 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)- 858117-30-3 C15H15N3O2S
    Benzenesulfonamide, 4-methyl-N-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-
    —— 2-chloro-4-(diallylamino)benzonitrile 821776-61-8 C13H13ClN2
    2-chloro-4-(diallylamino)benzonitrile
    —— 2-Ethoxycarbonyl-but-2-enedioic acid 1-ethyl ester 4-m-tolyl ester 811418-73-2 C16H18O6
    2-Ethoxycarbonyl-but-2-enedioic acid 1-ethyl ester 4-m-tolyl ester
    —— Cyclopropanamine, 2-fluoro-1-(4-methoxyphenyl)-, (1S,2S)- 834155-44-1 C10H12FNO
    Cyclopropanamine, 2-fluoro-1-(4-methoxyphenyl)-, (1S,2S)-
    —— methyl (2S)-2-[(tert-butoxycarbonyl)amino]-7-phenyl-6-heptynoate 848132-27-4 C19H25NO4
    methyl (2S)-2-[(tert-butoxycarbonyl)amino]-7-phenyl-6-heptynoate
    —— N-[3-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]-isobutyramide 843639-15-6 C18H21N5O5
    N-[3-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]-isobutyramide
    —— 17aα-methyl-17-oxa-D-homo-1,4-androstadien-3,16-dione 849425-38-3 C20H26O3
    17aα-methyl-17-oxa-D-homo-1,4-androstadien-3,16-dione
    —— JNJ-26993135 841202-16-2 C20H20N2O3S
    JNJ-26993135
    —— (3R)-3-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3,6-dihydro-2H-pyran 855297-94-8 C11H18O3
    (3R)-3-[(tetrahydro-2H-pyran-2-yloxy)methyl]-3,6-dihydro-2H-pyran
    —— 2-trifluoromethyl-4-fluorobenzal chloride 858672-66-9 C8H4Cl2F4
    2-trifluoromethyl-4-fluorobenzal chloride
    —— 5-Phenyl-4,5,6,7-tetrahydro-1H-indole-7-carboxylic acid methyl ester 856704-57-9 C16H17NO2
    5-Phenyl-4,5,6,7-tetrahydro-1H-indole-7-carboxylic acid methyl ester
    —— 1-ethyl-3-[7-(morpholine-4-carbonyl)-imidazo[1,2-a]pyridin-2-yl]-urea 865605-18-1 C15H19N5O3
    1-ethyl-3-[7-(morpholine-4-carbonyl)-imidazo[1,2-a]pyridin-2-yl]-urea
    —— compound 115 842127-57-5 C22H18N8O2
    compound 115
    —— dibenzo[c,p]chrysene-11,12-dione 858943-24-5 C26H14O2
    dibenzo[c,p]chrysene-11,12-dione