General Information of the Compound
| Compound ID |
CP0539592
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-5-amino-3-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenyl)-1-(1-cyanopiperidin-3-yl)-1H-pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19ClFN7O2
|
||||||||||||||||||
| Molecular Weight |
455.881
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)[C@@H]1CCCN(C1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19ClFN7O2/c22-13-8-16(23)21(27-9-13)32-15-5-3-12(4-6-15)18-17(20(26)31)19(25)30(28-18)14-2-1-7-29(10-14)11-24/h3-6,8-9,14H,1-2,7,10,25H2,(H2,26,31)/t14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JJICHOVZOJORFF-CQSZACIVSA-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