General Information of the Compound
| Compound ID |
CP0559081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N2O3S
|
||||||||||||||||||
| Molecular Weight |
356.447
|
||||||||||||||||||
| Canonical SMILES |
O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N2O3S/c22-19-8-4-13-20(19)16-9-11-17(12-10-16)25(23,24)21-14-3-6-15-5-1-2-7-18(15)21/h1-2,5,7,9-12H,3-4,6,8,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MACMFWNWIXCSLN-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