General Information of the Compound
| Compound ID |
CP0459886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-chloro-3-[(4-fluorophenyl)methyl]-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21ClF4N4O2
|
||||||||||||||||||
| Molecular Weight |
556.947
|
||||||||||||||||||
| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21ClF4N4O2/c1-37-15-34-14-24(37)27(38,18-6-10-23(35-13-18)28(31,32)33)17-5-9-22-20(12-17)25(29)21(26(36-22)39-2)11-16-3-7-19(30)8-4-16/h3-10,12-15,38H,11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZNSDAZKIRGCPR-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