General Information of the Compound
| Compound ID |
CP0207028
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one
CHEMBL477371
SCHEMBL2162232
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H18N2OS
|
||||||||||||||||||
| Molecular Weight |
274.389
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCCCc1ccccc1)c1nncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H18N2OS/c18-14(15-17-16-12-19-15)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,12H,1-2,4,7-8,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUVXRHLPGVMXRU-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
Clinical Information about the Compound
Drug 1 ( 7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one )
| Drug Name | 7-Phenyl-1-(1,3,4-thiadiazol-2-yl)-heptan-1-one | ||
|---|---|---|---|