General Information of the Compound
| Compound ID |
CP0034776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,4-difluorophenyl)-4-{[3-(pyridin-3-yl)phenyl]carbonyl}-1H-pyrazol-5-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14F2N4O
|
||||||||||||||||||
| Molecular Weight |
376.366
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(cnn1-c1ccc(F)cc1F)C(=O)c1cccc(c1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14F2N4O/c22-16-6-7-19(18(23)10-16)27-21(24)17(12-26-27)20(28)14-4-1-3-13(9-14)15-5-2-8-25-11-15/h1-12H,24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGTYVNDZYOVKCN-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