General Information of the Compound
| Compound ID |
CP0573545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-N-(2-aminophenyl)-1-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]benzene-1,4-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H28N4O6S
|
||||||||||||||||||
| Molecular Weight |
608.676
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H28N4O6S/c1-41-27-16-22(17-28(42-2)30(27)43-3)29(38)26-18-44-33(37-26)21-12-14-23(15-13-21)35-31(39)19-8-10-20(11-9-19)32(40)36-25-7-5-4-6-24(25)34/h4-18H,34H2,1-3H3,(H,35,39)(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AJDJSFFTJNNUFB-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8