General Information of the Compound
| Compound ID |
CP0487736
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-naphthalen-2-ylsulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N2O2S
|
||||||||||||||||||
| Molecular Weight |
400.503
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(N1CCCc2cc(ccc12)-c1cccnc1)c1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N2O2S/c27-29(28,23-11-9-18-5-1-2-6-19(18)16-23)26-14-4-8-21-15-20(10-12-24(21)26)22-7-3-13-25-17-22/h1-3,5-7,9-13,15-17H,4,8,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KYZLYTWBHCRWNL-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