General Information of the Compound
| Compound ID |
CP0071077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5H-dibenzo[b,f]azepine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Synonyms |
Carbamazepine
Carbamazepine (iv, epilepsy)
Carbamazepine (iv, epilepsy), Lundbeck
Carbamazepine (iv, epilepsy), Ovation Pharmaceuticals
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H12N2O
|
||||||||||||||||||
| Molecular Weight |
236.274
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)N1c2ccccc2C=Cc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFGPTBGBLSHEPO-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
298-46-4
|
||||||||||||||||||
| 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 | |||||||||||||||||||
| DrugBank 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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT02591, Major prion protein
Protein ID: PT02908, P2X purinoceptor 4
Protein ID: PT03043, Sodium channel protein type 4 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Clinical Information about the Compound