General Information of the Compound
| Compound ID |
CP0295105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-ethylphenylsulfonyl)-4-phenylazepan-4-ol
Show/Hide
|
||||||||||||||||||
| Synonyms |
1-(4-ethylphenylsulfonyl)-4-phenylazepan-4-ol
CHEMBL562684
SCHEMBL12549978
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25NO3S
|
||||||||||||||||||
| Molecular Weight |
359.491
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N1CCCC(O)(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25NO3S/c1-2-17-9-11-19(12-10-17)25(23,24)21-15-6-13-20(22,14-16-21)18-7-4-3-5-8-18/h3-5,7-12,22H,2,6,13-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUVJJRPTSWXSAA-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
Clinical Information about the Compound