General Information of the Compound
| Compound ID |
CP0437381
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| Compound Name |
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N'-hydroxydecanediamide
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| Structure |
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| Formula |
C27H36ClN3O3
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| Molecular Weight |
486.056
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| Canonical SMILES |
ONC(=O)CCCCCCCCC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C27H36ClN3O3/c28-23-17-16-22-15-14-21-10-7-8-11-24(21)31(25(22)20-23)19-9-18-29-26(32)12-5-3-1-2-4-6-13-27(33)30-34/h7-8,10-11,16-17,20,34H,1-6,9,12-15,18-19H2,(H,29,32)(H,30,33)
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| InChIKey |
NKIHQAYZTNJYNF-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