General Information of the Compound
| Compound ID |
CP0490274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N2O
|
||||||||||||||||||
| Molecular Weight |
326.399
|
||||||||||||||||||
| Canonical SMILES |
O=C1Nc2ccccc2C(=NC1Cc1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N2O/c25-22-20(15-16-9-3-1-4-10-16)23-21(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1-14,20H,15H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LCRRHVAUJKMFPH-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