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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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PP2,Src和RIP2激酶抑制剂CAS号 : 172889-27-9 Compound CID : 4878分子式: C15H16ClN5 分子量: 301.77IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amineSMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)NInChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-NInChI: InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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PD168393,细胞渗透性EGFR抑制剂CAS号 : 194423-15-9 Compound CID : 4708分子式: C17H13BrN4O 分子量: 369.22IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enamideSMILES: C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)BrInChIKey: HTUBKQUPEREOGA-UHFFFAOYSA-NInChI: InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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XL228CAS号 : 898280-07-4 Compound CID : 59757974分子式: C22H31N9O 分子量: 437.54IUPAC Name: 4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-(4-methylpiperazin-1-yl)-2-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamineSMILES: CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5InChIKey: ALKJNCZNEOTEMP-UHFFFAOYSA-NInChI: InChI=1S/C22H31N9O/c1-14(2)17-10-16(32-29-17)13-23-22-25-19(24-20-11-18(27-28-20)15-4-5-15)12-21(26-22)31-8-6-30(3)7-9-31/h10-12,14-15H,4-9,13H2,1-3H3,(H3,23,24,25,26,27,28)
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