General Information of the Compound
| Compound ID |
CP0411073
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| Compound Name |
N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N'-hydroxypentanediamide
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| Structure |
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| Formula |
C22H26ClN3O3
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| Molecular Weight |
415.921
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| Canonical SMILES |
ONC(=O)CCCC(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H26ClN3O3/c23-18-12-11-17-10-9-16-5-1-2-6-19(16)26(20(17)15-18)14-4-13-24-21(27)7-3-8-22(28)25-29/h1-2,5-6,11-12,15,29H,3-4,7-10,13-14H2,(H,24,27)(H,25,28)
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| InChIKey |
GQWOSUWMYJKRHD-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