General Information of the Compound
| Compound ID |
CP0452571
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3-Chlorophenylsulfonamido)methyl]-N-cycloheptyl-N-methylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27ClN2O3S
|
||||||||||||||||||
| Molecular Weight |
434.989
|
||||||||||||||||||
| Canonical SMILES |
CN(C1CCCCCC1)C(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27ClN2O3S/c1-25(20-8-4-2-3-5-9-20)22(26)18-13-11-17(12-14-18)16-24-29(27,28)21-10-6-7-19(23)15-21/h6-7,10-15,20,24H,2-5,8-9,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZFUMZUWJFIKDW-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
Protein ID: PT01109, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2