General Information of the Compound
| Compound ID |
CP0520271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(benzenesulfonyl)-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N2O2S
|
||||||||||||||||||
| Molecular Weight |
350.443
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O2S/c23-25(24,19-8-2-1-3-9-19)22-13-5-7-17-14-16(10-11-20(17)22)18-6-4-12-21-15-18/h1-4,6,8-12,14-15H,5,7,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
JOQVFYVLPZOLLE-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial