General Information of the Compound
| Compound ID |
CP0969081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-(3-chlorophenyl)phenyl)-1-(pyrrolidin-1-yl)propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20ClNO
|
||||||||||||||||||
| Molecular Weight |
313.828
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1ccc(-c2cccc(Cl)c2)cc1)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20ClNO/c20-18-5-3-4-17(14-18)16-9-6-15(7-10-16)8-11-19(22)21-12-1-2-13-21/h3-7,9-10,14H,1-2,8,11-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAQMSIBKXFIYNS-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