General Information of the Compound
| Compound ID |
CP0504540
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| Compound Name |
(E)-N-hydroxy-3-[3-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H27N3O2
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| Molecular Weight |
389.499
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| Canonical SMILES |
Cc1[nH]c2ccccc2c1CCN1CCc2ccc(\C=C\C(=O)NO)cc2CC1
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| InChI |
InChI=1S/C24H27N3O2/c1-17-21(22-4-2-3-5-23(22)25-17)12-15-27-13-10-19-8-6-18(7-9-24(28)26-29)16-20(19)11-14-27/h2-9,16,25,29H,10-15H2,1H3,(H,26,28)/b9-7+
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| InChIKey |
FHJQISPBEYPYDY-VQHVLOKHSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2