General Information of the Compound
| Compound ID |
CP0903875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-(4-(4-cyano-2-fluorophenoxy)piperidin-1-yl)-6-methylpyridin-3-yl)-2-methoxynicotinamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24FN5O3
|
||||||||||||||||||
| Molecular Weight |
461.497
|
||||||||||||||||||
| Canonical SMILES |
COc1ncccc1C(=O)Nc1cnc(C)cc1N1CCC(Oc2ccc(C#N)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24FN5O3/c1-16-12-22(21(15-29-16)30-24(32)19-4-3-9-28-25(19)33-2)31-10-7-18(8-11-31)34-23-6-5-17(14-27)13-20(23)26/h3-6,9,12-13,15,18H,7-8,10-11H2,1-2H3,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEGMTESECHCDTM-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