General Information of the Compound
| Compound ID |
CP0502915
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-fluoro-4-[[2-(4-methyl-1,3-thiazol-5-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15FN4OS
|
||||||||||||||||||
| Molecular Weight |
390.443
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15FN4OS/c1-12-20(28-11-23-12)21-24-16-7-2-3-8-17(16)26(21)10-13-9-18(27)25-19-14(13)5-4-6-15(19)22/h2-9,11H,10H2,1H3,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLTREXUJSHZINO-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