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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BIX02189,MEK5和ERK5抑制剂CAS号 : 1265916-41-3 Compound CID : 135659062分子式: C27H28N4O2 分子量: 440.54IUPAC Name: 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamideSMILES: CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)OInChIKey: ZGXOBLVQIVXKEB-UHFFFAOYSA-NInChI: InChI=1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3
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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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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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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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BIX 02188CAS号 : 1094614-84-2(DMSO)分子式: C25H24N4O2 分子量: 412.48SMILES: CNC(=O)C1=CC=C\2C(=C1)NC(=O)C2=C(\NC3=CC(=CC=C3)CN(C)C)C4=CC=CC=C4
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BIX 02189CAS号 : 1094614-85-3(DMSO)分子式: C27H28N4O2 分子量: 440.54SMILES: CN(C)CC1=CC=CC(=C1)N/C(C2=CC=CC=C2)=C/3C(=O)NC4=CC(=CC=C34)C(=O)N(C)C
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Barasertib (AZD1152-HQPA)CAS号 : 722544-51-6(DMSO)分子式: C26H30FN7O3 分子量: 507.56SMILES: CCN(CCO)CCCOC1=CC=C2C(=NC=NC2=C1)NC3=CC(=N[NH]3)CC(=O)NC4=CC=CC(=C4)F
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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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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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