General Information of the Compound
| Compound ID |
CP0493124
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-methylsulfonylethyl)-2-[(3-methylsulfonylindol-1-yl)methyl]benzimidazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N3O4S2
|
||||||||||||||||||
| Molecular Weight |
431.539
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)CCn1c(Cn2cc(c3ccccc23)S(C)(=O)=O)nc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N3O4S2/c1-28(24,25)12-11-23-18-10-6-4-8-16(18)21-20(23)14-22-13-19(29(2,26)27)15-7-3-5-9-17(15)22/h3-10,13H,11-12,14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTQIICSIWXXENL-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