General Information of the Compound
| Compound ID |
CP0566150
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-(2-fluoro-4-methoxybenzoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(2-fluoro-4-methoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F2N2O4
|
||||||||||||||||||
| Molecular Weight |
402.397
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N2CC3CC2CN3C(=O)c2ccc(OC)cc2F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N2O4/c1-28-14-3-5-16(18(22)8-14)20(26)24-10-13-7-12(24)11-25(13)21(27)17-6-4-15(29-2)9-19(17)23/h3-6,8-9,12-13H,7,10-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLBWOMPGMKHUDN-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