General Information of the Compound
| Compound ID |
CP0478839
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-(6-(benzyloxy)-1,2,3,4-tetrahydronaphthalen-2-yl)(oxazol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H19NO3
|
||||||||||||||||||
| Molecular Weight |
333.387
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1CCc2cc(OCc3ccccc3)ccc2C1)c1ncco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H19NO3/c23-20(21-22-10-11-24-21)18-7-6-17-13-19(9-8-16(17)12-18)25-14-15-4-2-1-3-5-15/h1-5,8-11,13,18H,6-7,12,14H2/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZYMUPRXSYFAWSN-SFHVURJKSA-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