General Information of the Compound
| Compound ID |
CP0499490
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(1,3-benzodioxol-5-yl)-3H-benzimidazol-5-yl]-2-chlorobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14ClN3O3
|
||||||||||||||||||
| Molecular Weight |
391.814
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1C(=O)Nc1ccc2nc([nH]c2c1)-c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14ClN3O3/c22-15-4-2-1-3-14(15)21(26)23-13-6-7-16-17(10-13)25-20(24-16)12-5-8-18-19(9-12)28-11-27-18/h1-10H,11H2,(H,23,26)(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJVQVFHLQKKXOY-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