General Information of the Compound
| Compound ID |
CP0556402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(3-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H47NO4
|
||||||||||||||||||
| Molecular Weight |
545.764
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3cc(O)cc(C)c3O2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H47NO4/c1-25(13-8-15-27(3)34(38)36-24-29-16-9-17-32(22-29)39-6)11-7-12-26(2)14-10-19-35(5)20-18-30-23-31(37)21-28(4)33(30)40-35/h9,11,14-17,21-23,37H,7-8,10,12-13,18-20,24H2,1-6H3,(H,36,38)/b25-11+,26-14+,27-15+/t35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWOYMCMUKJEMPU-JFKYVIAOSA-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 | |||||||||||||||||||
| 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