小分子
选项
-
3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮CAS号 : 284028-89-3(DMSO)分子式: C14H11F3N2OS 分子量: 312.31SMILES: OC1=C2CSCCC2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F
-
AG-14361CAS号 : 328543-09-5(DMSO)分子式: C19H20N4O 分子量: 320.39SMILES: CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3[N]2CCNC4=O
-
AP26113-analog (ALK-IN-1)CAS号 : 1197958-12-5(DMSO)分子式: C26H34ClN6O2P 分子量: 529.01SMILES: COC1=CC(=CC=C1NC2=NC=C(Cl)C(=N2)NC3=CC=CC=C3[P](C)(C)=O)N4CCC(CC4)N(C)C
-
AZ 3146CAS号 : 1124329-14-1(DMSO)分子式: C24H32N6O3 分子量: 452.55SMILES: COC1=C(NC2=NC3=C(C=N2)N(C)C(=O)N3C4CCCC4)C=CC(=C1)OC5CCN(C)CC5
-
AZD2461CAS号 : 1174043-16-3(DMSO)分子式: C22H22FN3O3 分子量: 395.43SMILES: COC1CCN(CC1)C(=O)C2=CC(=CC=C2F)CC3=NNC(=O)C4=CC=CC=C34
-
-
CYC116CAS号 : 693228-63-6(DMSO)分子式: C18H20N6OS 分子量: 368.46SMILES: CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4
-
-
Crizotinib (PF-02341066)CAS号 : 877399-52-5分子式: C21H22Cl2FN5O 分子量: 450.34IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amineSMILES: CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)NInChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-NInChI: InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
-
Entrectinib (RXDX-101)CAS号 : 1108743-60-7(DMSO)分子式: C31H34F2N6O2 分子量: 560.64SMILES: CN1CCN(CC1)C2=CC=C(C(=O)NC3=N[NH]C4=C3C=C(CC5=CC(=CC(=C5)F)F)C=C4)C(=C2)NC6CCOCC6
-
GSK1838705ACAS号 : 1116235-97-2(DMSO)分子式: C27H29FN8O3 分子量: 532.57SMILES: CNC(=O)C1=C(F)C=CC=C1NC2=C3C=C[NH]C3=NC(=N2)NC4=C(OC)C=C5CCN(C(=O)CN(C)C)C5=C4
-
TAE226 (NVP-TAE226)CAS号 : 761437-28-9(DMSO)分子式: C23H25ClN6O3 分子量: 468.94SMILES: CNC(=O)C1=C(NC2=C(Cl)C=NC(=N2)NC3=C(OC)C=C(C=C3)N4CCOCC4)C=CC=C1