General Information of the Compound
| Compound ID |
CP0447283
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-cyclobutyl-7-(dimethylamino)imidazo[4,5-b]pyridin-3-yl]methyl]-7,8-difluoro-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21F2N5O
|
||||||||||||||||||
| Molecular Weight |
409.44
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccnc2n(Cc3cc(=O)[nH]c4c(F)c(F)ccc34)c(nc12)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21F2N5O/c1-28(2)16-8-9-25-22-20(16)27-21(12-4-3-5-12)29(22)11-13-10-17(30)26-19-14(13)6-7-15(23)18(19)24/h6-10,12H,3-5,11H2,1-2H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JMYRAFSCTWQKQF-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: PT01406, Nitric oxide synthase 1
Protein ID: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible
Protein ID: PT01718, Nitric oxide synthase, inducible