小分子和化合物库
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RGFP966,HDAC3抑制剂CAS号 : 1396841-57-8 Compound CID : 56650312分子式: C21H19FN4O 分子量: 362.4IUPAC Name: (E)-N-(2-amino-4-fluorophenyl)-3-[1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]prop-2-enamideSMILES: C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)NInChIKey: BLVQHYHDYFTPDV-VCABWLAWSA-NInChI: InChI=1S/C21H19FN4O/c22-18-9-10-20(19(23)13-18)25-21(27)11-8-17-14-24-26(15-17)12-4-7-16-5-2-1-3-6-16/h1-11,13-15H,12,23H2,(H,25,27)/b7-4+,11-8+
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(S)-AMPACAS号 : 83643-88-3分子式: C7H10N2O4 分子量: 186.17IUPAC Name: (2S)-2-amino-3-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic acidSMILES: CC1=C(C(=O)NO1)CC(C(=O)O)NInChIKey: UUDAMDVQRQNNHZ-YFKPBYRVSA-NInChI: InChI=1S/C7H10N2O4/c1-3-4(6(10)9-13-3)2-5(8)7(11)12/h5H,2,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
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MI-192 盐酸盐CAS号 : 1415340-63-4 Compound CID : 56965342分子式: C24H21N3O2 分子量: 383.44IUPAC Name: N-(2-aminophenyl)-4-[(4-methylidene-1-oxo-3H-isoquinolin-2-yl)methyl]benzamideSMILES: C=C1CN(C(=O)C2=CC=CC=C12)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4NInChIKey: GTLTXEIKQVWSRF-UHFFFAOYSA-NInChI: InChI=1S/C24H21N3O2/c1-16-14-27(24(29)20-7-3-2-6-19(16)20)15-17-10-12-18(13-11-17)23(28)26-22-9-5-4-8-21(22)25/h2-13H,1,14-15,25H2,(H,26,28)
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TC-H 106,I类组蛋白脱乙酰基酶抑制剂CAS号 : 937039-45-7 Compound CID : 16070100分子式: C20H25N3O2 分子量: 339.43IUPAC Name: N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamideSMILES: CC1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2NInChIKey: WTKBRPXPNAKVEQ-UHFFFAOYSA-NInChI: InChI=1S/C20H25N3O2/c1-15-11-13-16(14-12-15)22-19(24)9-3-2-4-10-20(25)23-18-8-6-5-7-17(18)21/h5-8,11-14H,2-4,9-10,21H2,1H3,(H,22,24)(H,23,25)
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NKL 22CAS号 : 537034-15-4 Compound CID : 9543539分子式: C19H23N3O2 分子量: 325.4IUPAC Name: N'-(2-aminophenyl)-N-phenylheptanediamideSMILES: C1=CC=C(C=C1)NC(=O)CCCCCC(=O)NC2=CC=CC=C2NInChIKey: ZAIULUYKQLVQFH-UHFFFAOYSA-NInChI: InChI=1S/C19H23N3O2/c20-16-11-7-8-12-17(16)22-19(24)14-6-2-5-13-18(23)21-15-9-3-1-4-10-15/h1,3-4,7-12H,2,5-6,13-14,20H2,(H,21,23)(H,22,24)
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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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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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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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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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Mocetinostat (MGCD0103)CAS号 : 726169-73-9(DMSO)分子式: C23H20N6O 分子量: 396.44SMILES: NC1=CC=CC=C1NC(=O)C2=CC=C(CNC3=NC=CC(=N3)C4=CC=CN=C4)C=C2
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