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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1-(3-氯苯胺基)-4-苯基酞嗪CAS号 : 78351-75-4分子式: C20H14ClN3 分子量: 331.8IUPAC Name: N-(3-chlorophenyl)-4-phenylphthalazin-1-amineSMILES: C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC(=CC=C4)ClInChIKey: CEHQLKSLMFIHBF-UHFFFAOYSA-NInChI: InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-18-12-5-4-11-17(18)19(23-24-20)14-7-2-1-3-8-14/h1-13H,(H,22,24)
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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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MBCQCAS号 : 150450-53-6 Compound CID : 6610310分子式: C16H12ClN3O2 分子量: 313.74IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amineSMILES: C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)ClInChIKey: CNODHOSDWZLJGA-UHFFFAOYSA-NInChI: InChI=1S/C16H12ClN3O2/c17-11-2-3-13-12(6-11)16(20-8-19-13)18-7-10-1-4-14-15(5-10)22-9-21-14/h1-6,8H,7,9H2,(H,18,19,20)
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N-去甲基西地那非CAS号 : 139755-82-1 Compound CID : 135455980分子式: C21H28N6O4S 分子量: 460.55IUPAC Name: 5-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-oneSMILES: CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCNCC4)OCC)CInChIKey: UZTKBZXHEOVDRL-UHFFFAOYSA-NInChI: InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
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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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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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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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DroxinostatCAS号 : 99873-43-5(DMSO)分子式: C11H14ClNO3 分子量: 243.69SMILES: CC1=CC(=CC=C1OCCCC(=O)NO)Cl
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