General Information of the Compound
| Compound ID |
CP0554926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-methyl 2-(6-(benzyloxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl)oxazole-5-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21NO5
|
||||||||||||||||||
| Molecular Weight |
391.423
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cnc(o1)C(=O)[C@H]1CCc2cc(OCc3ccccc3)ccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21NO5/c1-27-23(26)20-13-24-22(29-20)21(25)18-8-7-17-12-19(10-9-16(17)11-18)28-14-15-5-3-2-4-6-15/h2-6,9-10,12-13,18H,7-8,11,14H2,1H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASLILWCUQSECNK-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