小分子
选项
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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
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AT9283CAS号 : 896466-04-9(DMSO)分子式: C19H23N7O2 分子量: 381.43SMILES: O=C(NC1CC1)NC2=C[NH]N=C2C3=NC4=CC(=CC=C4[NH]3)CN5CCOCC5
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Alisertib (MLN8237)CAS号 : 1028486-01-2(DMSO)分子式: C27H20ClFN4O4 分子量: 518.92SMILES: COC1=C(C(=CC=C1)F)C2=NCC3=C(N=C(NC4=CC(=C(C=C4)C(O)=O)OC)N=C3)C5=C2C=C(Cl)C=C5
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BMS-754807CAS号 : 1001350-96-4(DMSO)分子式: C23H24FN9O 分子量: 461.49SMILES: CC1(CCCN1C2=N[N]3C=CC=C3C(=N2)NC4=N[NH]C(=C4)C5CC5)C(=O)NC6=CC=C(F)N=C6
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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
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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
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Linsitinib (OSI-906)CAS号 : 867160-71-2(DMSO)分子式: C26H23N5O 分子量: 421.49SMILES: CC1(O)CC(C1)C2=NC(=C3[N]2C=CN=C3N)C4=CC=C5C=CC(=NC5=C4)C6=CC=CC=C6
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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
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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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氟哌啶醇CAS号 : 52-86-8(DMSO)分子式: C21H23ClFNO2 分子量: 375.86SMILES: OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C3=CC=C(Cl)C=C3
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氨氯地平CAS号 : 88150-42-9(DMSO)分子式: C20H25ClN2O5 分子量: 408.88SMILES: CCOC(=O)C1=C(COCCN)NC(=C(C1C2=C(Cl)C=CC=C2)C(=O)OC)C
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LDK378CAS号 : 1032900-25-6分子式: C28H36ClN5O3S 分子量: 558.14IUPAC Name: 5-chloro-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamineSMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)ClInChIKey: VERWOWGGCGHDQE-UHFFFAOYSA-NInChI: InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)