General Information of the Compound
| Compound ID |
CP0564804
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[4-[(dimethylamino)methyl]phenyl]ethyl]-7-[(4-fluorophenyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28FN3O
|
||||||||||||||||||
| Molecular Weight |
405.517
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1ccc(CCN2CCn3cc(Cc4ccc(F)cc4)cc3C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28FN3O/c1-27(2)17-21-5-3-19(4-6-21)11-12-28-13-14-29-18-22(16-24(29)25(28)30)15-20-7-9-23(26)10-8-20/h3-10,16,18H,11-15,17H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFBPXBNVSNGVGE-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