General Information of the Compound
| Compound ID |
CP0529357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9394273, 18
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30O5
|
||||||||||||||||||
| Molecular Weight |
458.554
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc(CC(O)\C=C\[C@H]3CCC(=O)[C@@H]3CCc3ccc(cc3)C(O)=O)cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30O5/c1-34-26-13-10-21-6-4-20(16-24(21)18-26)17-25(30)12-9-22-11-15-28(31)27(22)14-5-19-2-7-23(8-3-19)29(32)33/h2-4,6-10,12-13,16,18,22,25,27,30H,5,11,14-15,17H2,1H3,(H,32,33)/b12-9+/t22-,25?,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBKLWSJFQROXNG-ZSYIDUMUSA-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