General Information of the Compound
| Compound ID |
CP0503160
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-cyclopentyl-6-(2-pyridin-2-ylethynyl)pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N3O
|
||||||||||||||||||
| Molecular Weight |
291.354
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCCC1)c1ccc(nc1)C#Cc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N3O/c22-18(21-17-6-1-2-7-17)14-8-9-16(20-13-14)11-10-15-5-3-4-12-19-15/h3-5,8-9,12-13,17H,1-2,6-7H2,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LVJZZIOJQWCCQZ-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