General Information of the Compound
| Compound ID |
CP0397295
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(5-cyanopyridin-2-yl)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H13N5O
|
||||||||||||||||||
| Molecular Weight |
291.314
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccc(cn1)C#N)c1nn2CCCCc2c1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H13N5O/c17-8-11-4-5-12(19-10-11)7-15(22)16-13(9-18)14-3-1-2-6-21(14)20-16/h4-5,10H,1-3,6-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICFDNQVKSYPQHI-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