General Information of the Compound
| Compound ID |
CP0342276
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-(3-chloro-2-methylphenoxy)-3-(3-methoxy-1-adamantyl)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClN3O2
|
||||||||||||||||||
| Molecular Weight |
423.944
|
||||||||||||||||||
| Canonical SMILES |
COC12CC3CC(C1)CC(C3)(C2)c1nnc2c(Oc3cccc(Cl)c3C)cccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClN3O2/c1-15-18(25)5-3-6-19(15)30-20-7-4-8-28-21(20)26-27-22(28)23-10-16-9-17(11-23)13-24(12-16,14-23)29-2/h3-8,16-17H,9-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEBHYWPLCVDWCM-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