General Information of the Compound
| Compound ID |
CP0508609
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(6-(Benzyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl)(5-iodooxazol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18INO3
|
||||||||||||||||||
| Molecular Weight |
459.283
|
||||||||||||||||||
| Canonical SMILES |
Ic1cnc(o1)C(=O)C1CCc2cc(OCc3ccccc3)ccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18INO3/c22-19-12-23-21(26-19)20(24)17-7-6-16-11-18(9-8-15(16)10-17)25-13-14-4-2-1-3-5-14/h1-5,8-9,11-12,17H,6-7,10,13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUFZHHXQFWWNBS-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