General Information of the Compound
| Compound ID |
CP0538314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-{4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-2-methoxy-phenoxy}-1-heptyloxy-2-methoxy-ethyl)-benzo[1,3]dioxole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H50O9
|
||||||||||||||||||
| Molecular Weight |
650.809
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCOC(C(OC)Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H50O9/c1-8-9-10-11-12-19-43-37(28-14-17-30-34(22-28)45-23-44-30)38(42-7)46-31-18-15-27(21-33(31)41-6)36-25(3)24(2)35(47-36)26-13-16-29(39-4)32(20-26)40-5/h13-18,20-22,24-25,35-38H,8-12,19,23H2,1-7H3/t24-,25+,35+,36-,37?,38?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUXRMLVEXWXFRO-WGMPLXBCSA-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