General Information of the Compound
| Compound ID |
CP0469722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-[(3-methylsulfonylindol-1-yl)methyl]-1-(3-methylsulfonylpropyl)benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22ClN3O4S2
|
||||||||||||||||||
| Molecular Weight |
480.011
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)CCCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2cc(Cl)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22ClN3O4S2/c1-30(26,27)11-5-10-25-19-9-8-15(22)12-17(19)23-21(25)14-24-13-20(31(2,28)29)16-6-3-4-7-18(16)24/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXXRWCSUEXLSQD-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