General Information of the Compound
| Compound ID |
CP0375990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(Z)-2-Butoxy-2-(4-chloro-phenyl)-vinyl]-2H-tetrazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H15ClN4O
|
||||||||||||||||||
| Molecular Weight |
278.743
|
||||||||||||||||||
| Canonical SMILES |
CCCCO\C(=C/n1ncnn1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H15ClN4O/c1-2-3-8-19-13(9-18-16-10-15-17-18)11-4-6-12(14)7-5-11/h4-7,9-10H,2-3,8H2,1H3/b13-9-
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUVSMUPNINYCGZ-LCYFTJDESA-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