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    中文名称 英文名称 CAS号 化学式 结构式图片
    —— 2-[(3,4-difluoro)phenylamino]-6-(4-methylpiperazin-1-yl)-3-nitropyridine 1229014-72-5 C16H17F2N5O2
    2-[(3,4-difluoro)phenylamino]-6-(4-methylpiperazin-1-yl)-3-nitropyridine
    —— 4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide 1092068-16-0 C27H26Cl2FN3O2
    4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-[1-(4-fluorophenyl)ethyl]benzamide
    —— (R)-1-(6-morpholin-4-yl-pyridine-3-sulfonyl)-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid hydroxyamide 1205123-23-4 C15H20N4O5S
    (R)-1-(6-morpholin-4-yl-pyridine-3-sulfonyl)-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid hydroxyamide
    —— 3-[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-(2-methylpropyl)benzamide 1191892-73-5 C19H22N6O2
    3-[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]-N-(2-methylpropyl)benzamide
    —— (S)-4-(3-chloro-4-trifluoromethyl-phenyl)-1-[(S)-2-hydroxy-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-4-oxo-butyl]-3-methyl-piperazin-2-one 1290050-54-2 C23H29ClF3N3O4
    (S)-4-(3-chloro-4-trifluoromethyl-phenyl)-1-[(S)-2-hydroxy-4-((S)-4-hydroxy-6-aza-spiro[2.5]oct-6-yl)-4-oxo-butyl]-3-methyl-piperazin-2-one
    —— 1-[(2-Benzylphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione 1179803-62-3 C26H22F4N2O2
    1-[(2-Benzylphenyl)methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
    —— 1-[6-(3-Methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-(pyridin-2-ylmethyl)urea 1191893-87-4 C20H18N6O2
    1-[6-(3-Methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-(pyridin-2-ylmethyl)urea
    —— (S)-1-(4-((2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one 1032756-23-2 C23H30N8O3S
    (S)-1-(4-((2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)piperazin-1-yl)-2-hydroxypropan-1-one
    —— tert-butyl N-[(Z,4R)-6-methylhept-2-en-4-yl]carbamate 129603-04-9 C13H25NO2
    tert-butyl N-[(Z,4R)-6-methylhept-2-en-4-yl]carbamate
    —— 5-chloro-thiazole-2-carboxamidrazone 117892-14-5 C4H5ClN4S
    5-chloro-thiazole-2-carboxamidrazone
    —— tert-butyl 6-((3,4-dichlorophenoxy)methyl)-1-(4-(pyrrolidin-1-yl)phenyl)-3-aza-bicyclo[3.1.0]hexane-3-carboxylate 1259556-68-7 C27H32Cl2N2O3
    tert-butyl 6-((3,4-dichlorophenoxy)methyl)-1-(4-(pyrrolidin-1-yl)phenyl)-3-aza-bicyclo[3.1.0]hexane-3-carboxylate
    —— {4-[4-({3-[(methylamino)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-5-yI]phenyl}acetic acid 1351090-73-7 C21H19N5O4S
    {4-[4-({3-[(methylamino)sulfonyl]phenyl}amino)-1H-pyrrolo[2,3-d]pyrimidin-5-yI]phenyl}acetic acid
    —— 3-[1-butyryl-5-(4-methyl-cyclohexyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-5-phenyl-thiophene-2-carboxylic acid 1383383-86-5 C27H33NO3S
    3-[1-butyryl-5-(4-methyl-cyclohexyl)-1,2,3,6-tetrahydro-pyridin-4-yl]-5-phenyl-thiophene-2-carboxylic acid
    —— 2-{5-chloro-2-[6-(pyrimidin-5-ylmethyl)-1,4-oxazepan-4-yl]pyridin-4-yl}-1-methyl-1H-benzimidazole 1269769-00-7 C23H23ClN6O
    2-{5-chloro-2-[6-(pyrimidin-5-ylmethyl)-1,4-oxazepan-4-yl]pyridin-4-yl}-1-methyl-1H-benzimidazole
    —— (3R,3'R)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-chloro-5-(trifluoromethyl)phenylamino)-1,3'-bipiperidin-2-one 1271807-43-2 C21H23ClF4N6O
    (3R,3'R)-1'-(6-amino-5-fluoropyrimidin-4-yl)-3-(3-chloro-5-(trifluoromethyl)phenylamino)-1,3'-bipiperidin-2-one
    —— (9,10-<sup>2</sup>H2)9-demethylretinal 129165-51-1 C19H26O
    (9,10-<sup>2</sup>H2)9-demethylretinal
    —— N-[[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclohexyl]oxy-(dimethylamino)phosphoryl]-N-methylmethanamine 124462-84-6 C21H45N2O3PSi
    N-[[(1S,3R)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-4-methylidenecyclohexyl]oxy-(dimethylamino)phosphoryl]-N-methylmethanamine
    —— 5-Bromo-3-phenyl-1H-indole-2-carbothioic acid amide 126193-63-3 C15H11BrN2S
    5-Bromo-3-phenyl-1H-indole-2-carbothioic acid amide
    —— 4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine 130235-99-3 C17H12N4O2S3
    4-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
    —— (5-Methyl-1,3,4-oxadiazol-2-yl)methanethiol 1851546-12-7 C4H6N2OS
    (5-Methyl-1,3,4-oxadiazol-2-yl)methanethiol
    —— Axitinib metabolite M8b 1349772-83-3 C22H18N4O2S
    Axitinib metabolite M8b
    —— 5-iodo-1-(β-D-ribofuranosyl)pyrazole-4-carboxamide 128751-01-9 C9H12IN3O5
    5-iodo-1-(β-D-ribofuranosyl)pyrazole-4-carboxamide
    —— 6-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid 14209-40-6 C12H14O2
    6-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
    —— (4S,5R)-3-({6-(azetidin-1-yl)-3-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-yl}methyl)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one 1374134-58-3 C34H36BF6N3O5
    (4S,5R)-3-({6-(azetidin-1-yl)-3-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyridin-2-yl}methyl)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
    —— (3-fluoro-4-(1-propylazetidin-3-yloxy)phenyl)(6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophen-3-yl)methanone hydrochloride 1383929-12-1 C27H24FNO4S*ClH
    (3-fluoro-4-(1-propylazetidin-3-yloxy)phenyl)(6-hydroxy-2-(4-hydroxyphenyl)-benzo[b]thiophen-3-yl)methanone hydrochloride
    —— phthalic acid mono-[2-(2,5-dichloro-phenoxy)-ethyl ester] 132648-09-0 C16H12Cl2O5
    phthalic acid mono-[2-(2,5-dichloro-phenoxy)-ethyl ester]
    —— (5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)methanone 1241894-14-3 C23H24N4O
    (5H,11H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-yl)-(3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-yl)methanone
    —— 4-(2-aminopropan-2-3d)-N-(2-fluoro-5-(5-((5-(1-methylpyrrolidin-2-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)benzamide 1227207-28-4 C30H32FN7O2
    4-(2-aminopropan-2-3d)-N-(2-fluoro-5-(5-((5-(1-methylpyrrolidin-2-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)benzamide
    —— 1-(5,5-Dimethyl-2-pyrrolidinylidene)-4-phenyl-2-butanone 124583-26-2 C16H21NO
    1-(5,5-Dimethyl-2-pyrrolidinylidene)-4-phenyl-2-butanone
    —— (E)-17β-[3-(2-imidazolyl)hydrazonopropyl]-5β-androstane-3β,14β-diol 168177-74-0 C25H40N4O2
    (E)-17β-[3-(2-imidazolyl)hydrazonopropyl]-5β-androstane-3β,14β-diol
    —— [1S-[1α, 2α(Z),3α, 4α]]-6-[3-(1H-Imidazol-1-ylmethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-4-hexenoic acid 173242-16-5 C16H22N2O3
    [1S-[1α, 2α(Z),3α, 4α]]-6-[3-(1H-Imidazol-1-ylmethyl)-7-oxabicyclo[2.2.1]hept-2-yl]-4-hexenoic acid
    —— 1,3-dibenzyl-6,6-dimethyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione 1363495-01-5 C23H24N2O2
    1,3-dibenzyl-6,6-dimethyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
    —— 2-((2-hydroxyethyl)(4-((4-nitrophenyl)diazenyl)phenyl)amino)ethyl pentacosa-10,12-diynoate 1282511-48-1 C7H5O5S*C12H20N3
    2-((2-hydroxyethyl)(4-((4-nitrophenyl)diazenyl)phenyl)amino)ethyl pentacosa-10,12-diynoate
    —— 4-bromo-N-[4-(1-hydroxycyclobutyl)but-3-ynyl]benzenesulfonamide 1374551-01-5 C14H16BrNO3S
    4-bromo-N-[4-(1-hydroxycyclobutyl)but-3-ynyl]benzenesulfonamide
    —— Methyl 2-O-acetyl-5-O-benzyl-3-cyano-3-deoxy-β-D-xylofuranoside 171071-42-4 C16H19NO5
    Methyl 2-O-acetyl-5-O-benzyl-3-cyano-3-deoxy-β-D-xylofuranoside
    —— 2,2,2-Trifluoro-N-[1-(6-methoxy-benzothiazol-2-yl)-4-methyl-4,5-dihydro-1H-pyrazol-3-yl]-acetamide 126015-85-8 C14H13F3N4O2S
    2,2,2-Trifluoro-N-[1-(6-methoxy-benzothiazol-2-yl)-4-methyl-4,5-dihydro-1H-pyrazol-3-yl]-acetamide
    —— 1-(3',5'-dideoxy-5'-iodo-β-D-ribofuranosyl)uracil 1094026-97-7 C9H11IN2O4
    1-(3',5'-dideoxy-5'-iodo-β-D-ribofuranosyl)uracil
    —— 3-phenyl-2,3,6,10b-tetrahydro-5<i>H</i>-[1,3,4]oxadiazolo[2,3-<i>a</i>]isoquinoline-2-carboxylic acid ethyl ester 106546-31-0 C19H20N2O3
    3-phenyl-2,3,6,10b-tetrahydro-5<i>H</i>-[1,3,4]oxadiazolo[2,3-<i>a</i>]isoquinoline-2-carboxylic acid ethyl ester
    —— {UO2Cl2(pentamethylene sulfoxide)2} 139098-44-5 C10H20Cl2O4S2U
    {UO2Cl2(pentamethylene sulfoxide)2}
    —— trideca-2,11-diene-5,7,9-triyne-1,4-diol 105901-67-5 C13H12O2
    trideca-2,11-diene-5,7,9-triyne-1,4-diol
    —— (R)-((4S,5R,Z)-5-((tert-butyldimethylsilyl)oxy)-4-hydroxyhex-1-en-1-yl)(((S)-3-methyl-1-((trimethylsilyl)oxy)butan-2-yl)imino)(p-tolyl)-l6-sulfanone 177933-13-0 C27H51NO4SSi2
    (R)-((4S,5R,Z)-5-((tert-butyldimethylsilyl)oxy)-4-hydroxyhex-1-en-1-yl)(((S)-3-methyl-1-((trimethylsilyl)oxy)butan-2-yl)imino)(p-tolyl)-l6-sulfanone
    —— (R)-4-{(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Diacetoxy-3-[(S)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-3-phenyl-propionylamino]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl}-pentanoic acid methyl ester 198974-70-8 C52H73N3O10
    (R)-4-{(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Diacetoxy-3-[(S)-2-((S)-2-tert-butoxycarbonylamino-3-phenyl-propionylamino)-3-phenyl-propionylamino]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl}-pentanoic acid methyl ester
    —— (2S,4S,5S)-3,4-Dibenzyl-5-methyl-2-nonyl-5-vinyl-oxazolidine 159154-06-0 C29H41NO
    (2S,4S,5S)-3,4-Dibenzyl-5-methyl-2-nonyl-5-vinyl-oxazolidine
    —— 6-(ethyl(4-(methoxymethyl)-2-nitrophenyl)carbamoyl)picolinic acid 1396893-58-5 C17H17N3O6
    6-(ethyl(4-(methoxymethyl)-2-nitrophenyl)carbamoyl)picolinic acid
    —— —— 1315482-35-9 C51H64F12N4O17S
    —— 2-Benzyl-7-chloro-1-phenylnaphth<1,2,3-cd>indol-6(2H)one 138452-25-2 C28H18ClNO
    2-Benzyl-7-chloro-1-phenylnaphth<1,2,3-cd>indol-6(2H)one
    —— 8-aminocarbonyl-7-hydroxy-4-oxochromene-2-carboxylic acid 102297-83-6 C11H7NO6
    8-aminocarbonyl-7-hydroxy-4-oxochromene-2-carboxylic acid
    —— 4-nonyloxy-4'-(2-trimethylsilyl)ethynylbiphenyl 1251566-93-4 C26H36OSi
    4-nonyloxy-4'-(2-trimethylsilyl)ethynylbiphenyl
    —— [1-((S)-2-amino-3,3-dimethyl-butyryl)-piperidin-4-yl]-(4-cyano-benzyl)-carbamic acid benzyl ester hydrochloride 1091682-29-9 C27H34N4O3*ClH
    [1-((S)-2-amino-3,3-dimethyl-butyryl)-piperidin-4-yl]-(4-cyano-benzyl)-carbamic acid benzyl ester hydrochloride
    —— acetic acid-[methyl-(1-methyl-2-oxo-propylidene)-hydrazide] 13136-37-3 C7H12N2O2
    acetic acid-[methyl-(1-methyl-2-oxo-propylidene)-hydrazide]