General Information of the Compound
| Compound ID |
CP0480118
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[(2-bromophenyl)methylsulfanyl]benzimidazol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13BrN2O2S
|
||||||||||||||||||
| Molecular Weight |
377.263
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cn1c(SCc2ccccc2Br)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13BrN2O2S/c17-12-6-2-1-5-11(12)10-22-16-18-13-7-3-4-8-14(13)19(16)9-15(20)21/h1-8H,9-10H2,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCCAKIQLOZTVJW-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