General Information of the Compound
| Compound ID |
CP0533059
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| Compound Name |
(E)-3-{4-[3-(2-tert-Butyl-1H-indol-3-yl)piperidin-1-ylmethyl]-3-chlorophenyl}-N-hydroxyacrylamide
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| Structure |
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| Formula |
C27H32ClN3O2
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| Molecular Weight |
466.025
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| Canonical SMILES |
CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(\C=C\C(=O)NO)cc2Cl)C1
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| InChI |
InChI=1S/C27H32ClN3O2/c1-27(2,3)26-25(21-8-4-5-9-23(21)29-26)20-7-6-14-31(17-20)16-19-12-10-18(15-22(19)28)11-13-24(32)30-33/h4-5,8-13,15,20,29,33H,6-7,14,16-17H2,1-3H3,(H,30,32)/b13-11+
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| InChIKey |
SARLJYCGRBSBIR-ACCUITESSA-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