General Information of the Compound
| Compound ID |
CP0385877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-chloro-4-propan-2-yloxyphenyl)-5-phenyl-1,3,4-thiadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClN2OS
|
||||||||||||||||||
| Molecular Weight |
330.84
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc(cc1Cl)-c1nnc(s1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15ClN2OS/c1-11(2)21-15-9-8-13(10-14(15)18)17-20-19-16(22-17)12-6-4-3-5-7-12/h3-11H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WPJRYVTWFLCDLL-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
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3