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PD153035 盐酸盐CAS号: 183322-45-4分子式: C16H14BrN3O2·HCl 分子量: 396.67IUPAC Name: N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine;hydrochlorideSMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.ClInChIKey: ZJOKWAWPAPMNIM-UHFFFAOYSA-NInChI: 1S/C16H14BrN3O2.ClH/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11;/h3-9H,1-2H3,(H,18,19,20);1H
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PD-161570,FGFR抑制剂CAS号: 192705-80-9 Compound CID : 5328135分子式: C26H35Cl2N7O 分子量: 532.51IUPAC Name: 1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-[4-(diethylamino)butylamino]pyrido[2,3-d]pyrimidin-7-yl]ureaSMILES: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=C(C=CC=C3Cl)Cl)NC(=O)NC(C)(C)CInChIKey: MKVMEJKNLUWFSQ-UHFFFAOYSA-NInChI: 1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36)
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托法替尼CAS号: 477600-75-2 Compound CID : 9926791分子式: C16H20N6O 分子量: 312.37IUPAC Name: 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrileSMILES: CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NInChIKey: UJLAWZDWDVHWOW-YPMHNXCESA-NInChI: 1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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蔓荆子黄素CAS号: 479-91-4分子式: C19H18O8 分子量: 374.34IUPAC Name: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7-trimethoxychromen-4-oneSMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC)OInChIKey: PJQLSMYMOKWUJG-UHFFFAOYSA-NInChI: 1S/C19H18O8/c1-23-11-6-5-9(7-10(11)20)17-19(26-4)16(22)14-12(27-17)8-13(24-2)18(25-3)15(14)21/h5-8,20-21H,1-4H3
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紫铆因CAS号: 487-52-5分子式: C15H12O5 分子量: 272.25IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneSMILES: C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)OInChIKey: AYMYWHCQALZEGT-ORCRQEGFSA-NInChI: 1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
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氟苯咪唑CAS号: 31430-15-6 EC号: 250-624-4分子式: C16H12FN3O3 分子量: 313.28IUPAC Name: methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamateSMILES: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)FInChIKey: CPEUVMUXAHMANV-UHFFFAOYSA-NInChI: 1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)
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淫羊藿素CAS号: 118525-40-9分子式: C21H20O6 分子量: 368.38IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-oneSMILES: CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)CInChIKey: TUUXBSASAQJECY-UHFFFAOYSA-NInChI: 1S/C21H20O6/c1-11(2)4-9-14-15(22)10-16(23)17-18(24)19(25)20(27-21(14)17)12-5-7-13(26-3)8-6-12/h4-8,10,22-23,25H,9H2,1-3H3
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高车前素CAS号: 1447-88-7分子式: C16H12O6 分子量: 300.26IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxychromen-4-oneSMILES: COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)OInChIKey: IHFBPDAQLQOCBX-UHFFFAOYSA-NInChI: 1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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大叶茜草素CAS号: 55481-88-4分子式: C17H16O4 分子量: 284.31IUPAC Name: methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylateSMILES: CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)CInChIKey: VLGATXOTCNBWIT-UHFFFAOYSA-NInChI: 1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3
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胡黄连苷ICAS号: 27409-30-9 Compound CID : 6440892分子式: C24H28O11 分子量: 492.47IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoateSMILES: C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)OInChIKey: XZGPUOQGERGURE-LUVHZPKESA-NInChI: See more
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Canertinib 二盐酸盐CAS号: 289499-45-2 Compound CID : 156413分子式: C24H25ClFN5O3·2HCl 分子量: 558.86IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enamide;dihydrochlorideSMILES: C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4.Cl.ClInChIKey: JZZFDCXSFTVOJY-UHFFFAOYSA-NInChI: 1S/C24H25ClFN5O3.2ClH/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16;;/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29);2*1H
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