General Information of the Compound
| Compound ID |
CP0575461
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-(2-aminophenyl)-N-[4-[4-(3,4,5-trimethoxybenzoyl)-1,3-thiazol-2-yl]phenyl]heptanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H34N4O6S
|
||||||||||||||||||
| Molecular Weight |
602.713
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)c1csc(n1)-c1ccc(NC(=O)CCCCCC(=O)Nc2ccccc2N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H34N4O6S/c1-40-26-17-21(18-27(41-2)31(26)42-3)30(39)25-19-43-32(36-25)20-13-15-22(16-14-20)34-28(37)11-5-4-6-12-29(38)35-24-10-8-7-9-23(24)33/h7-10,13-19H,4-6,11-12,33H2,1-3H3,(H,34,37)(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOPVYENWJZJIIK-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