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阿法替尼CAS号 : 439081-18-2 Compound CID : 10184653分子式: C24H25ClFN5O3 分子量: 485.94IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-NInChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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PD168393,细胞渗透性EGFR抑制剂CAS号 : 194423-15-9 Compound CID : 4708分子式: C17H13BrN4O 分子量: 369.22IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamideSMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)BrInChIKey: HTUBKQUPEREOGA-UHFFFAOYSA-NInChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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达克替尼（PF299804、PF299）CAS号 : 1110813-31-4 Compound CID : 11511120分子式: C24H25ClFN5O2 分子量: 469.94IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamideSMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4InChIKey: LVXJQMNHJWSHET-AATRIKPKSA-NInChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+
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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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CL-387785CAS号 : 194423-06-8 Compound CID : 2776分子式: C18H13BrN4O 分子量: 381.2IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamideSMILES: CC#CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)BrInChIKey: BTYYWOYVBXILOJ-UHFFFAOYSA-NInChI: InChI=1S/C18H13BrN4O/c1-2-4-17(24)22-14-7-8-16-15(10-14)18(21-11-20-16)23-13-6-3-5-12(19)9-13/h3,5-11H,1H3,(H,22,24)(H,20,21,23)
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GW2974CAS号 : 202272-68-2 Compound CID : 6603857分子式: C23H21N7 分子量: 395.46IUPAC Name: 4-N-(1-benzylindazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamineSMILES: CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5InChIKey: DYYZXRCFCVDSKD-UHFFFAOYSA-NInChI: InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)
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AfatinibCAS号 : 439081-18-2 Compound CID : 10184653分子式: C24H25ClFN5O3 分子量: 485.94IUPAC Name: (E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamideSMILES: CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4InChIKey: ULXXDDBFHOBEHA-CWDCEQMOSA-NInChI: InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1
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AC480 (BMS-599626)CAS号 : 714971-09-2(DMSO)分子式: C27H27FN8O3 分子量: 530.55SMILES: CC1=C2[N](C=C1NC(=O)OCC3COCCN3)N=CN=C2NC4=CC5=C(C=C4)[N](CC6=CC=CC(=C6)F)N=C5
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Bosutinib (SKI-606)CAS号 : 380843-75-4(DMSO)分子式: C26H29Cl2N5O3 分子量: 530.45SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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PD168393CAS号 : 194423-15-9(DMSO)分子式: C17H13BrN4O 分子量: 369.22SMILES: BrC1=CC(=CC=C1)NC2=NC=NC3=CC=C(NC(=O)C=C)C=C23
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TAE684 (NVP-TAE684)CAS号 : 761439-42-3(DMSO)分子式: C30H40ClN7O3S 分子量: 614.2SMILES: COC1=C(NC2=NC=C(Cl)C(=N2)NC3=C(C=CC=C3)[S](=O)(=O)C(C)C)C=CC(=C1)N4CCC(CC4)N5CCN(C)CC5
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VarlitinibCAS号 : 845272-21-1(DMSO)分子式: C22H19ClN6O2S 分子量: 466.94SMILES: CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(OCC5=NC=CS5)C=C4)Cl
