小分子和化合物库
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AR-42,HDAC抑制剂CAS号 : 935881-37-1 Compound CID : 6918848分子式: C18H20N2O3 分子量: 312.36IUPAC Name: N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamideSMILES: CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NOInChIKey: LAMIXXKAWNLXOC-INIZCTEOSA-NInChI: InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
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PCI-34051,HDAC8抑制剂CAS号 : 950762-95-5 Compound CID : 24753719分子式: C17H16N2O3 分子量: 296.32IUPAC Name: N-hydroxy-1-[(4-methoxyphenyl)methyl]indole-6-carboxamideSMILES: COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NOInChIKey: AJRGHIGYPXNABY-UHFFFAOYSA-NInChI: InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)
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SMI-4a,ATP竞争性Pim激酶抑制剂CAS号 : 438190-29-5 Compound CID : 1361334分子式: C11H6F3NO2S 分子量: 273.23IUPAC Name: (5Z)-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dioneSMILES: C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2InChIKey: NGJLOFCOEOHFKQ-YVMONPNESA-NInChI: InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
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Tryprostatin A,抑制剂CAS号 : 171864-80-5 Compound CID : 9929833分子式: C22H27N3O3 分子量: 381.47IUPAC Name: (3S,8aS)-3-[[6-methoxy-2-(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dioneSMILES: CC(=CCC1=C(C2=C(N1)C=C(C=C2)OC)CC3C(=O)N4CCCC4C(=O)N3)CInChIKey: XNRPVPHNDQHWLJ-PMACEKPBSA-NInChI: InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19-,20-/m0/s1
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BRD 73954,双组蛋白脱乙酰基酶(HDAC)6/8抑制剂CAS号 : 1440209-96-0 Compound CID : 71680913分子式: C16H16N2O3 分子量: 284.31IUPAC Name: 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamideSMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NOInChIKey: FIHKWEQJEDRIFS-UHFFFAOYSA-NInChI: InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
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TriapineCAS号 : 200933-27-3 Compound CID : 9571836分子式: C7H9N5S 分子量: 195.24IUPAC Name: [(E)-(3-aminopyridin-2-yl)methylideneamino]thioureaSMILES: C1=CC(=C(N=C1)C=NNC(=S)N)NInChIKey: XMYKNCNAZKMVQN-NYYWCZLTSA-NInChI: InChI=1S/C7H9N5S/c8-5-2-1-3-10-6(5)4-11-12-7(9)13/h1-4H,8H2,(H3,9,12,13)/b11-4+
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2-(二苯基氨基)-N-[7-(羟基氨基)-7-氧代庚基]-5-嘧啶甲酰胺CAS号 : 1316214-52-4(DMSO)分子式: C24H27N5O3 分子量: 433.5SMILES: ONC(=O)CCCCCCNC(=O)C1=CN=C(N=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
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AG-1024CAS号 : 65678-07-1(DMSO)分子式: C14H13BrN2O 分子量: 305.17SMILES: CC(C)(C)C1=C(O)C(=CC(=C1)C=C(C#N)C#N)Br
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AR-42CAS号 : 935881-37-1(DMSO)分子式: C18H20N2O3 分子量: 312.36SMILES: CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)NO)C2=CC=CC=C2
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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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Bortezomib (PS-341)CAS号 : 179324-69-7(DMSO)分子式: C19H25BN4O4 分子量: 384.24SMILES: CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)B(O)O
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