General Information of the Compound
| Compound ID |
CP0522485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(2-{4-[(2S,3R,4S,5R)-5-(3,4-Dimethoxy-phenyl)-3,4-dimethyl-tetrahydro-furan-2-yl]-2-methoxy-phenoxy}-1,2-dimethoxy-ethyl)-benzo[1,3]dioxole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H38O9
|
||||||||||||||||||
| Molecular Weight |
566.647
|
||||||||||||||||||
| Canonical SMILES |
COC(Oc1ccc(cc1OC)[C@H]1O[C@H]([C@@H](C)[C@H]1C)c1ccc(OC)c(OC)c1)C(OC)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H38O9/c1-18-19(2)30(41-29(18)20-8-11-23(33-3)26(14-20)34-4)21-10-13-25(27(15-21)35-5)40-32(37-7)31(36-6)22-9-12-24-28(16-22)39-17-38-24/h8-16,18-19,29-32H,17H2,1-7H3/t18-,19+,29+,30-,31?,32?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UINRLPASFNNAAX-BAXKCSEPSA-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