General Information of the Compound
| Compound ID |
CP0507686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13Cl2F3N4O
|
||||||||||||||||||
| Molecular Weight |
417.218
|
||||||||||||||||||
| Canonical SMILES |
CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1ccc(Cl)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13Cl2F3N4O/c1-2-26-15-10(8-25-26)14(19)11(7-23-15)16(27)24-6-9-3-4-13(18)12(5-9)17(20,21)22/h3-5,7-8H,2,6H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYIRZSRUGJREBX-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