General Information of the Compound
| Compound ID |
CP0938776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)pyridin-3-yl)-1-ethyl-5-methoxy-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F2N6O3
|
||||||||||||||||||
| Molecular Weight |
482.491
|
||||||||||||||||||
| Canonical SMILES |
CCn1ncc(C(=O)Nc2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F2N6O3/c1-3-32-24(34-2)18(14-29-32)23(33)30-20-10-15(12-27)13-28-22(20)31-8-6-17(7-9-31)35-21-5-4-16(25)11-19(21)26/h4-5,10-11,13-14,17H,3,6-9H2,1-2H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBHSOIJMGMFYNW-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