General Information of the Compound
| Compound ID |
CP0503957
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[5-(2,3-dichlorophenyl)tetrazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C13H11Cl2N5O
|
||||||||||||||||||
| Molecular Weight |
324.171
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(C)c1Cn1nnnc1-c1cccc(Cl)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C13H11Cl2N5O/c1-7-10(8(2)21-17-7)6-20-13(16-18-19-20)9-4-3-5-11(14)12(9)15/h3-5H,6H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSFNYZATRUHKHQ-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