General Information of the Compound
| Compound ID |
CP0486438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(3,5-difluoro-4-methoxyphenyl)pyrrolo[2,3-b]pyridin-2-yl]-(3-fluoroazetidin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H14F3N3O2
|
||||||||||||||||||
| Molecular Weight |
361.323
|
||||||||||||||||||
| Canonical SMILES |
COc1c(F)cc(cc1F)-n1c(cc2cccnc12)C(=O)N1CC(F)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H14F3N3O2/c1-26-16-13(20)6-12(7-14(16)21)24-15(18(25)23-8-11(19)9-23)5-10-3-2-4-22-17(10)24/h2-7,11H,8-9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SIBXOBSVOGRXDT-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: PT01305, 3',5'-cyclic-AMP phosphodiesterase 4B
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D