General Information of the Compound
| Compound ID |
CP0534455
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzylbenzotriazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11N3
|
||||||||||||||||||
| Molecular Weight |
209.252
|
||||||||||||||||||
| Canonical SMILES |
C(c1ccccc1)n1nnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11N3/c1-2-6-11(7-3-1)10-16-13-9-5-4-8-12(13)14-15-16/h1-9H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQVSPZZIBWDHOF-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