General Information of the Compound
| Compound ID |
CP0161197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[6-(3-methoxyphenyl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28N2O3
|
||||||||||||||||||
| Molecular Weight |
476.576
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nc2ccc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1cccc(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28N2O3/c1-3-7-30-32-28-17-16-24(23-8-6-9-25(18-23)36-2)19-29(28)33(30)20-21-12-14-22(15-13-21)26-10-4-5-11-27(26)31(34)35/h4-6,8-19H,3,7,20H2,1-2H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFVHNNYZHDYRPL-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