小分子和化合物库
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LMK 235,HDAC抑制剂CAS号 : 1418033-25-6 Compound CID : 71520717分子式: C15H22N2O4 分子量: 294.35IUPAC Name: N-[6-(hydroxyamino)-6-oxohexoxy]-3,5-dimethylbenzamideSMILES: CC1=CC(=CC(=C1)C(=O)NOCCCCCC(=O)NO)CInChIKey: VRYZCEONIWEUAV-UHFFFAOYSA-NInChI: InChI=1S/C15H22N2O4/c1-11-8-12(2)10-13(9-11)15(19)17-21-7-5-3-4-6-14(18)16-20/h8-10,20H,3-7H2,1-2H3,(H,16,18)(H,17,19)
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K 858,有丝分裂驱动蛋白Eg5抑制剂CAS号 : 72926-24-0 Compound CID : 2930014分子式: C13H15N3O2S 分子量: 277.34IUPAC Name: N-(4-acetyl-5-methyl-5-phenyl-1,3,4-thiadiazol-2-yl)acetamideSMILES: CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)CInChIKey: JEFVYQYZCAVNTP-UHFFFAOYSA-NInChI: InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)
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(-)-多奈哌齐CAS号 : 142057-80-5 Compound CID : 3152分子式: C24H29NO3 分子量: 379.49IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-oneSMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OCInChIKey: ADEBPBSSDYVVLD-UHFFFAOYSA-NInChI: InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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Belinostat (PXD101)CAS号 : 414864-00-9(DMSO)分子式: C15H14N2O4S 分子量: 318.35SMILES: ONC(=O)/C=C/C1=CC(=CC=C1)[S](=O)(=O)NC2=CC=CC=C2
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CUDC-101CAS号 : 1012054-59-9(DMSO)分子式: C24H26N4O4 分子量: 434.49SMILES: COC1=CC2=C(C=C1OCCCCCCC(=O)NO)C(=NC=N2)NC3=CC(=CC=C3)C#C
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Entinostat (MS-275)CAS号 : 209783-80-2(DMSO)分子式: C21H20N4O3 分子量: 376.41SMILES: NC1=CC=CC=C1NC(=O)C2=CC=C(CNC(=O)OCC3=CN=CC=C3)C=C2
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Dacinostat (LAQ824)CAS号 : 404951-53-7(DMSO)分子式: C22H25N3O3 分子量: 379.459SMILES: OCCN(CCC1=C[NH]C2=C1C=CC=C2)CC3=CC=C(\C=C\C(=O)NO)C=C3
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N-羟基-N'-苯基辛二酰胺CAS号 : 149647-78-9(DMSO)分子式: C14H20N2O3 分子量: 264.3SMILES: ONC(=O)CCCCCCC(=O)NC1=CC=CC=C1
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Abexinostat (PCI-24781)CAS号 : 783355-60-2(DMSO)分子式: C21H23N3O5 分子量: 397.42SMILES: CN(C)CC1=C(OC2=CC=CC=C12)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
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Pracinostat (SB939)CAS号 : 929016-96-6(DMSO)分子式: C20H30N4O2 分子量: 358.48SMILES: CCCCC1=NC2=CC(=CC=C2[N]1CCN(CC)CC)\C=C\C(=O)NO
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ScriptaidCAS号 : 287383-59-9(DMSO)分子式: C18H18N2O4 分子量: 326.35SMILES: ONC(=O)CCCCCN1C(=O)C2=C3C(=CC=C2)C=CC=C3C1=O
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