General Information of the Compound
| Compound ID |
CP0521877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-chlorophenyl)-3-methyl-6-(trifluoromethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H8ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
328.681
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(-c2cccc(Cl)c2)c2nc([nH]c(=O)c12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H8ClF3N4O/c1-6-9-10(18-12(13(15,16)17)19-11(9)22)21(20-6)8-4-2-3-7(14)5-8/h2-5H,1H3,(H,18,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYVIFQIPPPRZJF-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3