General Information of the Compound
| Compound ID |
CP0880817
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| Compound Name |
N-(3-((4-Chlorobenzyl)amino)-3-oxopropyl)-4-(dimethylamino)-N-(4-(hydroxy-carbamoyl)benzyl)benzamide
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| Structure |
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| Formula |
C27H29ClN4O4
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| Molecular Weight |
509.006
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| Canonical SMILES |
CN(C)c1ccc(C(=O)N(CCC(=O)NCc2ccc(Cl)cc2)Cc2ccc(C(=O)NO)cc2)cc1
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| InChI |
InChI=1S/C27H29ClN4O4/c1-31(2)24-13-9-22(10-14-24)27(35)32(18-20-3-7-21(8-4-20)26(34)30-36)16-15-25(33)29-17-19-5-11-23(28)12-6-19/h3-14,36H,15-18H2,1-2H3,(H,29,33)(H,30,34)
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| InChIKey |
ZYLSOIIHIQAMBG-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