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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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Foretinib (GSK1363089)CAS号 : 849217-64-7(DMSO)分子式: C34H34F2N4O6 分子量: 632.65SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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OxybutyninCAS号 : 5633-20-5(DMSO)分子式: C22H31NO3 分子量: 357.49SMILES: CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)C2=CC=CC=C2
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Ponatinib (AP24534)CAS号 : 943319-70-8(DMSO)分子式: C29H27F3N6O 分子量: 532.56SMILES: CN1CCN(CC1)CC2=C(C=C(NC(=O)C3=CC(=C(C)C=C3)C#CC4=CN=C5C=CC=N[N]45)C=C2)C(F)(F)F
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托吡卡胺CAS号 : 1508-75-4(DMSO)分子式: C17H20N2O2 分子量: 284.35SMILES: CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
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氯氮平CAS号 : 5786-21-0(DMSO)分子式: C18H19ClN4 分子量: 326.82SMILES: CN1CCN(CC1)C2=NC3=C(NC4=C2C=CC=C4)C=CC(=C3)Cl
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索利那辛琥珀酸盐CAS号 : 242478-38-2(water)分子式: C23H26N2O2·C4H6O4 分子量: 480.55SMILES: OC(=O)CCC(O)=O.O=C(OC1CN2CCC1CC2)N3CCC4=C(C=CC=C4)C3C5=CC=CC=C5
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脱羧氯雷他定CAS号 : 100643-71-8(DMSO)分子式: C19H19ClN2 分子量: 310.82SMILES: ClC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4
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阿地溴铵CAS号 : 320345-99-1(DMSO)分子式: C26H30NO4S2·Br 分子量: 564.55SMILES: [Br-].OC(C(=O)OC1C[N+]2(CCCOC3=CC=CC=C3)CCC1CC2)(C4=CC=CS4)C5=CC=CS5
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苄索氯铵CAS号 : 121-54-0分子式: C27H42ClNO2 分子量: 448.08IUPAC Name: benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chlorideSMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-MInChI: InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1
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CarbetapentaneCAS号 : 77-23-6分子式: C20H31NO3 分子量: 333.47IUPAC Name: 2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylateSMILES: CCN(CC)CCOCCOC(=O)C1(CCCC1)C2=CC=CC=C2InChIKey: CFJMRBQWBDQYMK-UHFFFAOYSA-NInChI: InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
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GSK1324726A (I-BET726)CAS号 : 1300031-52-0分子式: C25H23ClN2O3 分子量: 434.91IUPAC Name: 4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoic acidSMILES: CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)ClInChIKey: FAWSUKOIROHXAP-NPMXOYFQSA-NInChI: InChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
