General Information of the Compound
| Compound ID |
CP0531238
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| Compound Name |
4-[[1-[[4-(diethylaminomethyl)phenyl]methyl]-2-oxo-4-pyridin-3-ylquinolin-3-yl]oxymethyl]-N-hydroxybenzamide
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| Formula |
C34H34N4O4
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| Molecular Weight |
562.67
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| Canonical SMILES |
CCN(CC)Cc1ccc(Cn2c3ccccc3c(-c3cccnc3)c(OCc3ccc(cc3)C(=O)NO)c2=O)cc1
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| InChI |
InChI=1S/C34H34N4O4/c1-3-37(4-2)21-24-11-13-25(14-12-24)22-38-30-10-6-5-9-29(30)31(28-8-7-19-35-20-28)32(34(38)40)42-23-26-15-17-27(18-16-26)33(39)36-41/h5-20,41H,3-4,21-23H2,1-2H3,(H,36,39)
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| InChIKey |
JZWQUCQSANRYGU-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8400 nM
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