General Information of the Compound
| Compound ID |
CP0404423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2,5,7,8-tetramethyl-2-undecoxycarbonyl-3,4-dihydrochromen-6-yl)oxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H42O6
|
||||||||||||||||||
| Molecular Weight |
462.627
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCOC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H42O6/c1-6-7-8-9-10-11-12-13-14-17-31-26(30)27(5)16-15-22-21(4)24(32-18-23(28)29)19(2)20(3)25(22)33-27/h6-18H2,1-5H3,(H,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XLWMEOLIGYXVRQ-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