General Information of the Compound
| Compound ID |
CP0579046
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| Compound Name |
(E)-N-(2-aminophenyl)-3-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C28H25N3O5S
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| Molecular Weight |
515.591
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(\C=C\C(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C28H25N3O5S/c1-34-23-14-19(15-24(35-2)27(23)36-3)26(33)22-16-37-28(31-22)18-11-8-17(9-12-18)10-13-25(32)30-21-7-5-4-6-20(21)29/h4-16H,29H2,1-3H3,(H,30,32)/b13-10+
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| InChIKey |
ZXQSXNIYYZXAOV-JLHYYAGUSA-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