General Information of the Compound
| Compound ID |
CP0382498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[1-[(2,6-difluorophenyl)methyl]-4,6-dioxo-5H-1,5-naphthyridine-3-carbonyl]amino]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17F2N3O5
|
||||||||||||||||||
| Molecular Weight |
465.412
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1ccc(NC(=O)c2cn(Cc3c(F)cccc3F)c3ccc(=O)[nH]c3c2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17F2N3O5/c25-17-2-1-3-18(26)15(17)11-29-12-16(23(33)22-19(29)8-9-20(30)28-22)24(34)27-14-6-4-13(5-7-14)10-21(31)32/h1-9,12H,10-11H2,(H,27,34)(H,28,30)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CMWKSANSIUAXEH-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: PT01479, 3',5'-cyclic-AMP phosphodiesterase 4A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A