General Information of the Compound
| Compound ID |
CP0490756
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| Compound Name |
(E)-3-{4-[3-(2-tert-Butyl-1H-indol-3-yl)piperidin-1-ylmethyl]-phenyl}-N-hydroxyacrylamide
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| Structure |
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| Formula |
C27H33N3O2
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| Molecular Weight |
431.58
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| Canonical SMILES |
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2)C1
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| InChI |
InChI=1S/C27H33N3O2/c1-27(2,3)26-25(22-8-4-5-9-23(22)28-26)21-7-6-16-30(18-21)17-20-12-10-19(11-13-20)14-15-24(31)29-32/h4-5,8-15,21,28,32H,6-7,16-18H2,1-3H3,(H,29,31)/b15-14+
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| InChIKey |
DERFKFVMRCMNBB-CCEZHUSRSA-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