General Information of the Compound
| Compound ID |
CP0431884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-chlorophenyl)-4-(3,3-difluorocyclobutyl)-6-(3-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H14ClF3N4
|
||||||||||||||||||
| Molecular Weight |
438.84
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1)-c1nc2[nH]nc(-c3cccc(Cl)c3)c2c(C2CC(F)(F)C2)c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14ClF3N4/c24-15-5-1-3-12(7-15)21-19-18(14-9-23(26,27)10-14)17(11-28)20(29-22(19)31-30-21)13-4-2-6-16(25)8-13/h1-8,14H,9-10H2,(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZPRZZZNQXEIOA-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