General Information of the Compound
| Compound ID |
CP0579009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl]-N-[(4-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
Show/Hide
|
||||||||||||||||||
| Formula |
C36H49NO4
|
||||||||||||||||||
| Molecular Weight |
559.791
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)cc(C)c3O2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H49NO4/c1-25(13-9-15-27(3)35(39)37-24-30-16-18-31(40-7)19-17-30)11-8-12-26(2)14-10-21-36(6)22-20-32-29(5)33(38)23-28(4)34(32)41-36/h11,14-19,23,38H,8-10,12-13,20-22,24H2,1-7H3,(H,37,39)/b25-11+,26-14+,27-15+/t36-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJHLSKFCCOIANP-OOPUVKFSSA-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