General Information of the Compound
| Compound ID |
CP0512466
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[(2-propylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N2O2
|
||||||||||||||||||
| Molecular Weight |
370.452
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2ccccc2n1Cc1ccc(cc1)-c1cccc(c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N2O2/c1-2-6-23-25-21-9-3-4-10-22(21)26(23)16-17-11-13-18(14-12-17)19-7-5-8-20(15-19)24(27)28/h3-5,7-15H,2,6,16H2,1H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDZUXKOEMHGTFA-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