General Information of the Compound
| Compound ID |
CP0499029
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7,8-difluoro-4-[[2-(3-methylimidazol-4-yl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15F2N5O
|
||||||||||||||||||
| Molecular Weight |
391.381
|
||||||||||||||||||
| Canonical SMILES |
Cn1cncc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15F2N5O/c1-27-11-24-9-17(27)21-25-15-4-2-3-5-16(15)28(21)10-12-8-18(29)26-20-13(12)6-7-14(22)19(20)23/h2-9,11H,10H2,1H3,(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCLBURIPKVSCLH-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