General Information of the Compound
| Compound ID |
CP0407729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(4-cyclopropyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H15F3N4O3
|
||||||||||||||||||
| Molecular Weight |
416.359
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1ccc2nn(Cc3nc(co3)C3CC3)c(=O)n2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H15F3N4O3/c21-20(22,23)30-15-6-3-12(4-7-15)14-5-8-17-25-27(19(28)26(17)9-14)10-18-24-16(11-29-18)13-1-2-13/h3-9,11,13H,1-2,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSQMBQWQWAJCSH-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