General Information of the Compound
| Compound ID |
CP0492494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2,4-difluorophenyl)-[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21F3N2O3
|
||||||||||||||||||
| Molecular Weight |
406.404
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C[C@H]2C)C(=O)c2ccc(F)cc2F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21F3N2O3/c1-12-10-25(20(27)16-6-4-14(22)8-18(16)23)11-13(2)26(12)21(28)17-7-5-15(29-3)9-19(17)24/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQAXKRGGZRZRQG-CHWSQXEVSA-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