General Information of the Compound
| Compound ID |
CP0519267
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-benzoyl-3-[(3,5-difluorophenoxy)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20F2N4O3
|
||||||||||||||||||
| Molecular Weight |
426.423
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(COc2cc(F)cc(F)c2)c2CN(CCc12)C(=O)NC(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20F2N4O3/c1-27-20-7-8-28(22(30)25-21(29)14-5-3-2-4-6-14)12-18(20)19(26-27)13-31-17-10-15(23)9-16(24)11-17/h2-6,9-11H,7-8,12-13H2,1H3,(H,25,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJZCRZCDFUVNTN-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