General Information of the Compound
| Compound ID |
CP0163607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]-3-pentan-3-ylbenzimidazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H31Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
592.523
|
||||||||||||||||||
| Canonical SMILES |
CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H31Cl2N3O4/c1-5-21(6-2)37-27-16-20(32(38)39)12-15-26(27)35-31(37)19-10-13-22(14-11-19)40-17-23-29(36-41-30(23)18(3)4)28-24(33)8-7-9-25(28)34/h7-16,18,21H,5-6,17H2,1-4H3,(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVGJBHRUVHMVES-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