General Information of the Compound
| Compound ID |
CP0565516
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[3-methoxy-2-[4-(4-phenylphenyl)butanoyloxy]propyl] 4-(4-phenylphenyl)butanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H38O5
|
||||||||||||||||||
| Molecular Weight |
550.695
|
||||||||||||||||||
| Canonical SMILES |
COCC(COC(=O)CCCc1ccc(cc1)-c1ccccc1)OC(=O)CCCc1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H38O5/c1-39-26-34(41-36(38)17-9-11-29-20-24-33(25-21-29)31-14-6-3-7-15-31)27-40-35(37)16-8-10-28-18-22-32(23-19-28)30-12-4-2-5-13-30/h2-7,12-15,18-25,34H,8-11,16-17,26-27H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKXBYIAFZGBKMQ-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