General Information of the Compound
| Compound ID |
CP0496314
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| Compound Name |
(E)-N-(2-aminophenyl)-3-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]prop-2-enamide
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1ncc(\C=C\C(=O)Nc2ccccc2N)s1
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| InChI |
InChI=1S/C21H21N3O4S/c1-26-17-10-13(11-18(27-2)20(17)28-3)21-23-12-14(29-21)8-9-19(25)24-16-7-5-4-6-15(16)22/h4-12H,22H2,1-3H3,(H,24,25)/b9-8+
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| InChIKey |
UYZFMDDTYKKSNC-CMDGGOBGSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8