General Information of the Compound
| Compound ID |
CP0494077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[[5-(benzylcarbamoyl)-2-methoxyphenyl]methylsulfanyl]-5-fluorobenzimidazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22FN3O4S
|
||||||||||||||||||
| Molecular Weight |
479.533
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(F)ccc2n1CC(O)=O)C(=O)NCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22FN3O4S/c1-33-22-10-7-17(24(32)27-13-16-5-3-2-4-6-16)11-18(22)15-34-25-28-20-12-19(26)8-9-21(20)29(25)14-23(30)31/h2-12H,13-15H2,1H3,(H,27,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJIRWDLJGHVIOL-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