General Information of the Compound
| Compound ID |
CP0013391
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| Compound Name |
(E)-3-[4-[[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C27H28ClN3O2
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| Molecular Weight |
461.993
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(CNCCCN2c3ccccc3CCc3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C27H28ClN3O2/c28-24-14-13-23-12-11-22-4-1-2-5-25(22)31(26(23)18-24)17-3-16-29-19-21-8-6-20(7-9-21)10-15-27(32)30-33/h1-2,4-10,13-15,18,29,33H,3,11-12,16-17,19H2,(H,30,32)/b15-10+
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| InChIKey |
TURBURJBILXASP-XNTDXEJSSA-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