General Information of the Compound
| Compound ID |
CP0008776
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| Compound Name |
N-[[4-[(2-amino-5-fluorophenyl)carbamoyl]phenyl]methyl]-N-[2-(benzylamino)-2-oxoethyl]-3,5-dimethylbenzamide
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| Structure |
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| Formula |
C32H31FN4O3
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| Molecular Weight |
538.623
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(F)ccc1N
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| InChI |
InChI=1S/C32H31FN4O3/c1-21-14-22(2)16-26(15-21)32(40)37(20-30(38)35-18-23-6-4-3-5-7-23)19-24-8-10-25(11-9-24)31(39)36-29-17-27(33)12-13-28(29)34/h3-17H,18-20,34H2,1-2H3,(H,35,38)(H,36,39)
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| InChIKey |
CCSXAKMPEDGUEQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6