General Information of the Compound
| Compound ID |
CP0540354
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| Compound Name |
N'-(2-aminophenyl)-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]octanediamide
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| Structure |
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| Formula |
C33H36N4O6S
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| Molecular Weight |
616.74
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)CCCCCCC(=O)Nc2ccccc2N)cc1
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| InChI |
InChI=1S/C33H36N4O6S/c1-41-27-18-22(19-28(42-2)32(27)43-3)31(40)26-20-44-33(37-26)21-14-16-23(17-15-21)35-29(38)12-6-4-5-7-13-30(39)36-25-11-9-8-10-24(25)34/h8-11,14-20H,4-7,12-13,34H2,1-3H3,(H,35,38)(H,36,39)
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| InChIKey |
YGICGPIICUVLIA-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