General Information of the Compound
| Compound ID |
CP0563678
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(1-adamantylamino)-2-oxoethyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H33N3O4
|
||||||||||||||||||
| Molecular Weight |
475.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)N(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccc(cc1)C(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N3O4/c1-18-4-2-3-5-24(18)27(34)31(16-19-6-8-23(9-7-19)26(33)30-35)17-25(32)29-28-13-20-10-21(14-28)12-22(11-20)15-28/h2-9,20-22,35H,10-17H2,1H3,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NGDANKAMBOAKJP-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 | |||||||||||||||||||
| ChEMBL 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