General Information of the Compound
| Compound ID |
CP0396860
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| Compound Name |
1-N-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-N-hydroxybenzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C25H24ClN3O3
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| Molecular Weight |
449.938
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| Canonical SMILES |
ONC(=O)c1ccc(cc1)C(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H24ClN3O3/c26-21-13-12-18-7-6-17-4-1-2-5-22(17)29(23(18)16-21)15-3-14-27-24(30)19-8-10-20(11-9-19)25(31)28-32/h1-2,4-5,8-13,16,32H,3,6-7,14-15H2,(H,27,30)(H,28,31)
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| InChIKey |
YBHXIMPOGZHPJE-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