General Information of the Compound
| Compound ID |
CP0578054
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| Compound Name |
N'-(2-aminophenyl)-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]hexanediamide
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| Structure |
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| Formula |
C31H32N4O6S
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| Molecular Weight |
588.686
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)CCCCC(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C31H32N4O6S/c1-39-25-16-20(17-26(40-2)30(25)41-3)29(38)24-18-42-31(35-24)19-12-14-21(15-13-19)33-27(36)10-6-7-11-28(37)34-23-9-5-4-8-22(23)32/h4-5,8-9,12-18H,6-7,10-11,32H2,1-3H3,(H,33,36)(H,34,37)
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| InChIKey |
ICNXQGIQKLFLOX-UHFFFAOYSA-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