General Information of the Compound
| Compound ID |
CP0539639
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-fluoro-5-[1-[3-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F2N5
|
||||||||||||||||||
| Molecular Weight |
431.49
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(cn1)-c1ccc(cc1F)N1CCC(CC1)C1c2c(cccc2F)-c2cncn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F2N5/c1-30-14-17(12-29-30)19-6-5-18(11-22(19)27)31-9-7-16(8-10-31)25-24-20(3-2-4-21(24)26)23-13-28-15-32(23)25/h2-6,11-16,25H,7-10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODBJBEMGFKUTHU-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