General Information of the Compound
| Compound ID |
CP0287484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-bicyclo[2.2.1]heptanyl)-8-(3-chloro-2-methylphenoxy)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20ClN3O
|
||||||||||||||||||
| Molecular Weight |
353.853
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)cccc1Oc1cccn2c(nnc12)C12CCC(CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20ClN3O/c1-13-15(21)4-2-5-16(13)25-17-6-3-11-24-18(17)22-23-19(24)20-9-7-14(12-20)8-10-20/h2-6,11,14H,7-10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IDIWWKULEMAKJZ-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