General Information of the Compound
| Compound ID |
CP0486401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[5-chloro-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[3,4-c]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22ClN5O4S
|
||||||||||||||||||
| Molecular Weight |
463.947
|
||||||||||||||||||
| Canonical SMILES |
COCCOCCn1c(Cn2nc(c3ccncc23)S(C)(=O)=O)nc2cc(Cl)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22ClN5O4S/c1-29-9-10-30-8-7-25-17-4-3-14(21)11-16(17)23-19(25)13-26-18-12-22-6-5-15(18)20(24-26)31(2,27)28/h3-6,11-12H,7-10,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NBFYVUOIDFVZCN-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