General Information of the Compound
| Compound ID |
CP0506093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(2-nitrophenyl)methylsulfanyl]-1,3,4-oxadiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13N3O5S
|
||||||||||||||||||
| Molecular Weight |
371.374
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1ccccc1CSc1nnc(o1)-c1ccc2OCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13N3O5S/c21-20(22)13-4-2-1-3-12(13)10-26-17-19-18-16(25-17)11-5-6-14-15(9-11)24-8-7-23-14/h1-6,9H,7-8,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MRRWZFFMQVVMGU-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