General Information of the Compound
| Compound ID |
CP0153398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(bis(4-fluorophenyl)methoxy)phenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H28F2N2O3
|
||||||||||||||||||
| Molecular Weight |
538.594
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2n(C3CCCCC3)c(nc2c1)-c1ccc(OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H28F2N2O3/c34-25-13-6-21(7-14-25)31(22-8-15-26(35)16-9-22)40-28-17-10-23(11-18-28)32-36-29-20-24(33(38)39)12-19-30(29)37(32)27-4-2-1-3-5-27/h6-20,27,31H,1-5H2,(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOPBXOVESODUSC-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