General Information of the Compound
| Compound ID |
CP0353013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-fluorobenzoyl)-2-(4-(piperidin-1-ylmethyl)phenethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
459.565
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C(=O)c1cc2C(=O)N(CCc3ccc(CN4CCCCC4)cc3)CCn2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30FN3O2/c29-25-10-8-23(9-11-25)27(33)24-18-26-28(34)31(16-17-32(26)20-24)15-12-21-4-6-22(7-5-21)19-30-13-2-1-3-14-30/h4-11,18,20H,1-3,12-17,19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQOASLXUOYHQBH-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