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代谢酶/蛋白酶
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MEK抑制剂IICAS号: 623163-52-0分子式: C14H8NO4Cl 分子量: 289.7IUPAC Name: 1-(3-chloro-1,4-dioxonaphthalen-2-yl)pyrrolidine-2,5-dioneSMILES: C1CC(=O)N(C1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)ClInChIKey: GYQSWJNGTWVFOL-UHFFFAOYSA-NInChI: 1S/C14H8ClNO4/c15-11-12(16-9(17)5-6-10(16)18)14(20)8-4-2-1-3-7(8)13(11)19/h1-4H,5-6H2
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6-氨基青霉烷酸分子式: C8H12N2O3S 分子量: 216.26IUPAC Name: (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidSMILES: CC1(C(N2C(S1)C(C2=O)N)C(=O)O)CInChIKey: NGHVIOIJCVXTGV-ALEPSDHESA-NInChI: 1S/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)/t3-,4+,6-/m1/s1
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阿达帕林CAS号: 106685-40-9分子式: C28H28O3 分子量: 412.52IUPAC Name: 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylic acidSMILES: COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5InChIKey: LZCDAPDGXCYOEH-UHFFFAOYSA-NInChI: 1S/C28H28O3/c1-31-26-7-6-23(21-2-3-22-12-24(27(29)30)5-4-20(22)11-21)13-25(26)28-14-17-8-18(15-28)10-19(9-17)16-28/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,29,30)
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4-雄烯-11β-醇-3,17-二酮CAS号: 382-44-5分子式: C19H26O3 分子量: 302.41IUPAC Name: (8S,9S,10R,11S,13S,14S)-11-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneSMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4=O)C)OInChIKey: WSCUHXPGYUMQEX-KCZNZURUSA-NInChI: 1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
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D-(-)-阿拉伯糖CAS号: 10323-20-3 EC号: 233-708-5分子式: C5H10O5 分子量: 150.13IUPAC Name: (2S,3R,4R)-2,3,4,5-tetrahydroxypentanalSMILES: C(C(C(C(C=O)O)O)O)OInChIKey: PYMYPHUHKUWMLA-WDCZJNDASA-NInChI: 1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4-,5+/m1/s1
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17-AAG,HSP90抑制剂CAS号: 75747-14-7分子式: C31H43N3O8 分子量: 585.69IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamateSMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OCInChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-NInChI: See more
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盐酸阿那格雷CAS号: 58579-51-4分子式: C10H7Cl2N3O·HCl 分子量: 292.55IUPAC Name: 6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrochlorideSMILES: C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3.ClInChIKey: TVWRQCIPWUCNMI-UHFFFAOYSA-NInChI: 1S/C10H7Cl2N3O.ClH/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7;/h1-2H,3-4H2,(H,13,14,16);1H
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3-延胡素酸氨基丙腈酯分子式: (C3H6N2)2·C4H4O4 分子量: 256.26IUPAC Name: 3-aminopropanenitrile;(E)-but-2-enedioic acidSMILES: C(CN)C#N.C(CN)C#N.C(=CC(=O)O)C(=O)OInChIKey: NYMXYZMHOZAPHQ-SEPHDYHBSA-NInChI: 1S/C4H4O4.2C3H6N2/c5-3(6)1-2-4(7)8;2*4-2-1-3-5/h1-2H,(H,5,6)(H,7,8);2*1-2,4H2/b2-1+;;
