General Information of the Compound
| Compound ID |
CP0909788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(Benzylamino)-3-oxopropyl)-N-(4-(hydroxycarbamoyl)benzyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N3O4
|
||||||||||||||||||
| Molecular Weight |
431.492
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCN(Cc1ccc(C(=O)NO)cc1)C(=O)c1ccccc1)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N3O4/c29-23(26-17-19-7-3-1-4-8-19)15-16-28(25(31)22-9-5-2-6-10-22)18-20-11-13-21(14-12-20)24(30)27-32/h1-14,32H,15-18H2,(H,26,29)(H,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDRJGSJVMZXGMY-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 | |||||||||||||||||||
| 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