General Information of the Compound
| Compound ID |
CP0010752
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| Compound Name |
N-[6-(2-aminoanilino)-6-oxohexyl]-N-[2-(cyclohexylamino)-2-oxoethyl]naphthalene-1-carboxamide
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| Structure |
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| Formula |
C31H38N4O3
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| Molecular Weight |
514.67
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCN(CC(=O)NC1CCCCC1)C(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C31H38N4O3/c32-27-18-8-9-19-28(27)34-29(36)20-5-2-10-21-35(22-30(37)33-24-14-3-1-4-15-24)31(38)26-17-11-13-23-12-6-7-16-25(23)26/h6-9,11-13,16-19,24H,1-5,10,14-15,20-22,32H2,(H,33,37)(H,34,36)
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| InChIKey |
BBOZKUDSOWBNPX-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: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6