General Information of the Compound
| Compound ID |
CP0576697
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| Compound Name |
N'-(2-aminophenyl)-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]pentanediamide
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| Structure |
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| Formula |
C30H30N4O6S
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| Molecular Weight |
574.659
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)CCCC(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C30H30N4O6S/c1-38-24-15-19(16-25(39-2)29(24)40-3)28(37)23-17-41-30(34-23)18-11-13-20(14-12-18)32-26(35)9-6-10-27(36)33-22-8-5-4-7-21(22)31/h4-5,7-8,11-17H,6,9-10,31H2,1-3H3,(H,32,35)(H,33,36)
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| InChIKey |
LXUOJZKROYWPPV-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