General Information of the Compound
| Compound ID |
CP0417705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(cyclopropylmethyl)-7-[4-[(6-methoxypyridin-3-yl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
454.452
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(COc2ccc(cc2)-c2ccn3c(CC4CC4)nnc3c2C(F)(F)F)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F3N4O2/c1-32-21-9-4-16(13-28-21)14-33-18-7-5-17(6-8-18)19-10-11-31-20(12-15-2-3-15)29-30-23(31)22(19)24(25,26)27/h4-11,13,15H,2-3,12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SZQABRYIHGNCIB-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