General Information of the Compound
| Compound ID |
CP0409631
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-ethoxy-2-fluorophenyl)-[(3R,5R)-4-(2-fluoro-4-methoxybenzoyl)-3,5-dimethylpiperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26F2N2O4
|
||||||||||||||||||
| Molecular Weight |
432.467
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(C(=O)N2C[C@@H](C)N([C@H](C)C2)C(=O)c2ccc(OC)cc2F)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F2N2O4/c1-5-31-17-7-9-18(21(25)11-17)22(28)26-12-14(2)27(15(3)13-26)23(29)19-8-6-16(30-4)10-20(19)24/h6-11,14-15H,5,12-13H2,1-4H3/t14-,15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDUKAXKCVNDLKI-HUUCEWRRSA-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