General Information of the Compound
| Compound ID |
CP0113819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[5-(4-methoxyphenyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N2O3
|
||||||||||||||||||
| Molecular Weight |
476.576
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2cc(ccc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1ccc(OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N2O3/c1-3-6-30-32-28-19-24(22-13-16-25(36-2)17-14-22)15-18-29(28)33(30)20-21-9-11-23(12-10-21)26-7-4-5-8-27(26)31(34)35/h4-5,7-19H,3,6,20H2,1-2H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZIBLIXIWLIYBV-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