General Information of the Compound
| Compound ID |
CP0531815
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-chloro-4-(oxan-4-yloxy)phenyl]-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17ClF3N3O2
|
||||||||||||||||||
| Molecular Weight |
435.833
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Cc1cnc2c(C#N)c(ccn12)-c1ccc(OC2CCOCC2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17ClF3N3O2/c22-18-9-13(1-2-19(18)30-15-4-7-29-8-5-15)16-3-6-28-14(10-21(23,24)25)12-27-20(28)17(16)11-26/h1-3,6,9,12,15H,4-5,7-8,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IARRIGHPRAPTFS-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