General Information of the Compound
| Compound ID |
CP0965084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-4-methoxy-2-methylpyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23F2N5O3
|
||||||||||||||||||
| Molecular Weight |
479.487
|
||||||||||||||||||
| Canonical SMILES |
COc1nc(C)ncc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F2N5O3/c1-15-29-14-19(25(30-15)34-2)24(33)31-21-11-16(13-28)3-5-22(21)32-9-7-18(8-10-32)35-23-6-4-17(26)12-20(23)27/h3-6,11-12,14,18H,7-10H2,1-2H3,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJBQDORVHNRGTQ-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