General Information of the Compound
| Compound ID |
CP0399635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-(4H-1,2,4-triazol-3-yl)phenyl)-4-propylmorpholine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H20N4O
|
||||||||||||||||||
| Molecular Weight |
272.352
|
||||||||||||||||||
| Canonical SMILES |
CCCN1CCOC(C1)c1cccc(c1)-c1nnc[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H20N4O/c1-2-6-19-7-8-20-14(10-19)12-4-3-5-13(9-12)15-16-11-17-18-15/h3-5,9,11,14H,2,6-8,10H2,1H3,(H,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQSVJSAFEDLKHP-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