General Information of the Compound
| Compound ID |
CP0453821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyrazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23N3O
|
||||||||||||||||||
| Molecular Weight |
345.446
|
||||||||||||||||||
| Canonical SMILES |
O=c1c(nccn1C(CN1CCCC1)c1ccccc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23N3O/c26-22-21(19-11-5-2-6-12-19)23-13-16-25(22)20(17-24-14-7-8-15-24)18-9-3-1-4-10-18/h1-6,9-13,16,20H,7-8,14-15,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCWVGZOWVIJLAB-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