General Information of the Compound
| Compound ID |
CP0938780
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-3-yl)-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F2N6O3
|
||||||||||||||||||
| Molecular Weight |
468.464
|
||||||||||||||||||
| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCC(Oc2ccc(F)cc2F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F2N6O3/c1-30-13-17(23(29-30)33-2)22(32)28-19-9-14(11-26)12-27-21(19)31-7-5-16(6-8-31)34-20-4-3-15(24)10-18(20)25/h3-4,9-10,12-13,16H,5-8H2,1-2H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GPXFCKBVWRCMRZ-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