General Information of the Compound
| Compound ID |
CP0532481
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methyl-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-2H-furan-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H24O3
|
||||||||||||||||||
| Molecular Weight |
252.354
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](C)CC1OC1OC(=O)C(C)=C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14-8-11(4)15(16)18-14/h8-10,12-14H,5-7H2,1-4H3/t10-,12+,13?,14?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LXCATODYSLMRIA-IKMSWONJSA-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