General Information of the Compound
| Compound ID |
CP0344156
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| Compound Name |
N-(2-aminophenyl)-4-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]benzamide
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| Structure |
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| Formula |
C21H17ClN4O2
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| Molecular Weight |
392.846
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(CNc2nc3cc(Cl)ccc3o2)cc1
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| InChI |
InChI=1S/C21H17ClN4O2/c22-15-9-10-19-18(11-15)26-21(28-19)24-12-13-5-7-14(8-6-13)20(27)25-17-4-2-1-3-16(17)23/h1-11H,12,23H2,(H,24,26)(H,25,27)
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| InChIKey |
CTDCQJLZGINRKT-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000767 | HMEC-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 17000 nM
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