General Information of the Compound
| Compound ID |
CP0463339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-(3-fluoro-4-(1H-tetrazol-5-yl)benzyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H16ClFN6O2S
|
||||||||||||||||||
| Molecular Weight |
458.906
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)ccc1-c1nnn[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H16ClFN6O2S/c21-15-5-7-17(8-6-15)31(29,30)28(13-16-3-1-2-10-23-16)12-14-4-9-18(19(22)11-14)20-24-26-27-25-20/h1-11H,12-13H2,(H,24,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMXUFHORTLVLCV-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