General Information of the Compound
| Compound ID |
CP0495625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]ethyl]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N4
|
||||||||||||||||||
| Molecular Weight |
354.457
|
||||||||||||||||||
| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1C(C)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N4/c1-3-22-25-26-23(27(22)17(2)18-13-15-24-16-14-18)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h4-17H,3H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQDPBSMVTFWJOX-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