General Information of the Compound
| Compound ID |
CP0948241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-methylphenyl)phenyl)-1-(pyrrolidin-1-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23NO
|
||||||||||||||||||
| Molecular Weight |
293.41
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(-c2ccc(CCC(=O)N3CCCC3)cc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23NO/c1-16-5-4-6-19(15-16)18-10-7-17(8-11-18)9-12-20(22)21-13-2-3-14-21/h4-8,10-11,15H,2-3,9,12-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SANLTRHLVOSVAX-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