General Information of the Compound
| Compound ID |
CP0408477
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-N,N,2-trimethylaniline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H26N4
|
||||||||||||||||||
| Molecular Weight |
382.511
|
||||||||||||||||||
| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(N(C)C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26N4/c1-5-24-26-27-25(29(24)23-13-9-12-22(18(23)2)28(3)4)21-16-14-20(15-17-21)19-10-7-6-8-11-19/h6-17H,5H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
COSMHFNPGNLRJO-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