General Information of the Compound
| Compound ID |
CP0477535
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| Compound Name |
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N'-hydroxyheptanediamide
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| Structure |
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| Formula |
C24H30ClN3O3
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| Molecular Weight |
443.975
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| Canonical SMILES |
ONC(=O)CCCCCC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C24H30ClN3O3/c25-20-14-13-19-12-11-18-7-4-5-8-21(18)28(22(19)17-20)16-6-15-26-23(29)9-2-1-3-10-24(30)27-31/h4-5,7-8,13-14,17,31H,1-3,6,9-12,15-16H2,(H,26,29)(H,27,30)
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| InChIKey |
WQOVLVOTSWKEEB-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