General Information of the Compound
| Compound ID |
CP0493584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F2N4O2
|
||||||||||||||||||
| Molecular Weight |
434.446
|
||||||||||||||||||
| Canonical SMILES |
FC1(F)CCN(C[C@@H]1Oc1ccc2ccccc2n1)C(=O)c1cccc(c1)-n1cccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F2N4O2/c25-24(26)11-14-29(23(31)18-6-3-7-19(15-18)30-13-4-12-27-30)16-21(24)32-22-10-9-17-5-1-2-8-20(17)28-22/h1-10,12-13,15,21H,11,14,16H2/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAYJFSGTMZKDDN-NRFANRHFSA-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