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PD153035 盐酸盐CAS号 : 183322-45-4 Compound CID : 11246488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: InChI=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: InChI=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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紫铆因分子式: 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: InChI=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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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: InChI=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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PKI 166 盐酸盐CAS号 : 2230253-82-2 Compound CID : 91691117分子式: C20H18N4O.HCl 分子量: 366.84IUPAC Name: 4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol;hydrochlorideSMILES: CC(C1=CC=CC=C1)NC2=NC=NC3=C2C=C(N3)C4=CC=C(C=C4)O.ClInChIKey: ZPTWAAIZEGWMGX-BTQNPOSSSA-NInChI: InChI=1S/C20H18N4O.ClH/c1-13(14-5-3-2-4-6-14)23-19-17-11-18(24-20(17)22-12-21-19)15-7-9-16(25)10-8-15;/h2-13,25H,1H3,(H2,21,22,23,24);1H/t13-;/m1./s1
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PF 6274484,共价EGFR激酶抑制剂CAS号 : 1035638-91-5 Compound CID : 74766099分子式: C18H14ClFN4O2 分子量: 372.78IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]prop-2-enamideSMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CInChIKey: TUYDDIWQXWTNSW-UHFFFAOYSA-NInChI: InChI=1S/C18H14ClFN4O2/c1-3-17(25)24-15-7-11-14(8-16(15)26-2)21-9-22-18(11)23-10-4-5-13(20)12(19)6-10/h3-9H,1H2,2H3,(H,24,25)(H,21,22,23)
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JBJ-03-142-02,EGFR和ErbB2抑制剂CAS号 : 2068806-31-3 Compound CID : 126496758分子式: C25H22FN7O3 分子量: 487.5IUPAC Name: (4-fluorophenyl)methyl N-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-[3-(prop-2-enoylamino)phenyl]carbamateSMILES: CN1C=C(C=N1)NC2=NC=CC(=N2)N(C3=CC=CC(=C3)NC(=O)C=C)C(=O)OCC4=CC=C(C=C4)FInChIKey: IFRXGTCPIGRGHP-UHFFFAOYSA-NInChI: InChI=1S/C25H22FN7O3/c1-3-23(34)29-19-5-4-6-21(13-19)33(25(35)36-16-17-7-9-18(26)10-8-17)22-11-12-27-24(31-22)30-20-14-28-32(2)15-20/h3-15H,1,16H2,2H3,(H,29,34)(H,27,30,31)
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HKI 357,ErbB2和EGFR的双重不可逆抑制剂CAS号 : 848133-17-5 Compound CID : 11238512分子式: C31H29ClFN5O3 分子量: 574.05IUPAC Name: (E)-N-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)C=CCN(C)CInChIKey: NERXPXBELDBEPZ-RMKNXTFCSA-NInChI: InChI=1S/C31H29ClFN5O3/c1-4-40-29-16-26-24(15-27(29)37-30(39)9-6-12-38(2)3)31(21(17-34)18-35-26)36-23-10-11-28(25(32)14-23)41-19-20-7-5-8-22(33)13-20/h5-11,13-16,18H,4,12,19H2,1-3H3,(H,35,36)(H,37,39)/b9-6+
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基于吉非替尼的 PROTAC 3CAS号 : 2230821-27-7 Compound CID : 135156947分子式: C47H57ClFN7O8S 分子量: 934.52IUPAC Name: (2S,4R)-1-[(2S)-2-[3-[2-[5-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypentoxy]ethoxy]propanoylamino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamideSMILES: CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)CCOCCOCCCCCOC4=C(C=C5C(=C4)C(=NC=N5)NC6=CC(=C(C=C6)F)Cl)OC)OInChIKey: NICKHWYZMNLEPJ-TZSMONEZSA-NInChI: InChI=1S/C47H57ClFN7O8S/c1-29-42(65-28-53-29)31-11-9-30(10-12-31)25-50-45(59)38-22-33(57)26-56(38)46(60)43(47(2,3)4)55-41(58)15-18-63-20-19-62-16-7-6-8-17-64-40-23-34-37(24-39(40)61-5)51-27-52-44(34)54-32-13-14-36(49)35(48)21-32/h9-14,21,23-24,27-28,33,38,43,57H,6-8,15-20,22,25-26H2,1-5H3,(H,50,59)(H,55,58)(H,51,52,54)/t33-,38+,43-/m1/s1
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BMS 599626 二盐酸盐CAS号 : 1781932-33-9 Compound CID : 90488998分子式: C27H27FN8O3.2HCl 分子量: 603.48IUPAC Name: [(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate;dihydrochlorideSMILES: CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F.Cl.ClInChIKey: SKHKFWSXLCGMNF-IKXQUJFKSA-NInChI: InChI=1S/C27H27FN8O3.2ClH/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18;;/h2-6,9-11,13,16,22,29H,7-8,12,14-15H2,1H3,(H,34,37)(H,30,32,33);2*1H/t22-;;/m0../s1
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AV 412,EGFR，ErbB2和Abl受体酪氨酸激酶的有效抑制剂CAS号 : 451492-95-8 Compound CID : 9806229分子式: C27H28ClFN6O 分子量: 507IUPAC Name: N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamideSMILES: CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)CInChIKey: ZAJXXUDARPGGOC-UHFFFAOYSA-NInChI: InChI=1S/C27H28ClFN6O/c1-5-25(36)33-23-16-20-24(30-17-31-26(20)32-19-6-7-22(29)21(28)15-19)14-18(23)8-9-27(2,3)35-12-10-34(4)11-13-35/h5-7,14-17H,1,10-13H2,2-4H3,(H,33,36)(H,30,31,32)
