General Information of the Compound
| Compound ID |
CP0148400
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
cyclopropyl-[4-[4-(4,4-difluoropiperidin-1-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F3N4O2
|
||||||||||||||||||
| Molecular Weight |
446.473
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2ncc(C(=O)N3CCN(CC3)C(=O)C3CC3)c(N3CCC(F)(F)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F3N4O2/c24-16-3-4-19-17(13-16)20(28-7-5-23(25,26)6-8-28)18(14-27-19)22(32)30-11-9-29(10-12-30)21(31)15-1-2-15/h3-4,13-15H,1-2,5-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
COHDMCSSLIIGPQ-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