General Information of the Compound
| Compound ID |
CP0376074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[4-(furan-2-ylmethyl)-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-phenylethyl)acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O3S
|
||||||||||||||||||
| Molecular Weight |
422.51
|
||||||||||||||||||
| Canonical SMILES |
Cc1occc1-c1nnc(SCC(=O)NCCc2ccccc2)n1Cc1ccco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O3S/c1-16-19(10-13-28-16)21-24-25-22(26(21)14-18-8-5-12-29-18)30-15-20(27)23-11-9-17-6-3-2-4-7-17/h2-8,10,12-13H,9,11,14-15H2,1H3,(H,23,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BKGWDUNOEZJBOB-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1