General Information of the Compound
| Compound ID |
CP0576711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[[2-(benzylamino)-2-oxoethyl]-(3,5-dimethylbenzoyl)amino]methyl]-3-fluoro-N-hydroxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26FN3O4
|
||||||||||||||||||
| Molecular Weight |
463.509
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1F)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26FN3O4/c1-17-10-18(2)12-22(11-17)26(33)30(16-24(31)28-14-19-6-4-3-5-7-19)15-21-9-8-20(13-23(21)27)25(32)29-34/h3-13,34H,14-16H2,1-2H3,(H,28,31)(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XBOCJJKBIHPDJL-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: PT00991, Histone deacetylase 1
Protein ID: PT01213, Histone deacetylase 6