General Information of the Compound
| Compound ID |
CP0444665
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-butyl-2-methoxy-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N4O2S
|
||||||||||||||||||
| Molecular Weight |
368.462
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(C(=O)c1ccccc1OC)c1nnc(s1)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N4O2S/c1-3-4-12-23(18(24)15-9-5-6-10-16(15)25-2)19-22-21-17(26-19)14-8-7-11-20-13-14/h5-11,13H,3-4,12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HDAROGUTJUFJDQ-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