General Information of the Compound
| Compound ID |
CP0462640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-(trifluoromethyl)benzimidazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3N2O4S
|
||||||||||||||||||
| Molecular Weight |
438.427
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1CSc1nc2cc(ccc2n1CC(O)=O)C(F)(F)F)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3N2O4S/c1-11(26)12-3-6-17(29-2)13(7-12)10-30-19-24-15-8-14(20(21,22)23)4-5-16(15)25(19)9-18(27)28/h3-8H,9-10H2,1-2H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZHHHQVJSCYPJO-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