General Information of the Compound
| Compound ID |
CP0553579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N2O3S
|
||||||||||||||||||
| Molecular Weight |
370.474
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2N(CCCc2c1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N2O3S/c1-15-6-11-19-16(14-15)4-2-13-22(19)26(24,25)18-9-7-17(8-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKEZGAARLIUVKG-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