General Information of the Compound
| Compound ID |
CP0477536
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| Compound Name |
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N'-hydroxynonanediamide
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| Structure |
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| Formula |
C26H34ClN3O3
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| Molecular Weight |
472.029
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| Canonical SMILES |
ONC(=O)CCCCCCCC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C26H34ClN3O3/c27-22-16-15-21-14-13-20-9-6-7-10-23(20)30(24(21)19-22)18-8-17-28-25(31)11-4-2-1-3-5-12-26(32)29-33/h6-7,9-10,15-16,19,33H,1-5,8,11-14,17-18H2,(H,28,31)(H,29,32)
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| InChIKey |
VESSIZGXFMZXOB-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