General Information of the Compound
| Compound ID |
CP0483445
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-isopropyl-2-(pyridin-2-ylethynyl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N3O
|
||||||||||||||||||
| Molecular Weight |
291.354
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCc2nc(ccc2C1=O)C#Cc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N3O/c1-13(2)21-12-10-17-16(18(21)22)9-8-15(20-17)7-6-14-5-3-4-11-19-14/h3-5,8-9,11,13H,10,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLSVDDXZJBMZCP-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