General Information of the Compound
| Compound ID |
CP0455333
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(3,8-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)butyl]-N-hydroxy-1,2-oxazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
446.334
|
||||||||||||||||||
| Canonical SMILES |
ONC(=O)c1cc(CCCCN2c3ccc(Cl)cc3CCc3cc(Cl)ccc23)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21Cl2N3O3/c23-16-6-8-20-14(11-16)4-5-15-12-17(24)7-9-21(15)27(20)10-2-1-3-18-13-19(26-30-18)22(28)25-29/h6-9,11-13,29H,1-5,10H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDTBXSDZXQXMDR-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