General Information of the Compound
| Compound ID |
CP0105597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(4-chlorophenyl)cyclopropyl]-8-(2-phenylphenoxy)-[1,2,4]triazolo[4,3-a]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H20ClN3O
|
||||||||||||||||||
| Molecular Weight |
437.93
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C1(CC1)c1nnc2c(Oc3ccccc3-c3ccccc3)cccn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H20ClN3O/c28-21-14-12-20(13-15-21)27(16-17-27)26-30-29-25-24(11-6-18-31(25)26)32-23-10-5-4-9-22(23)19-7-2-1-3-8-19/h1-15,18H,16-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVWQXJAEVDVYLP-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