General Information of the Compound
| Compound ID |
CP0528384
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H48N2O3
|
||||||||||||||||||
| Molecular Weight |
544.78
|
||||||||||||||||||
| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H48N2O3/c1-24(14-9-16-26(3)34(39)37-23-30-17-11-21-36-22-30)12-8-13-25(2)15-10-19-35(7)20-18-31-29(6)32(38)27(4)28(5)33(31)40-35/h11-12,15-17,21-22,38H,8-10,13-14,18-20,23H2,1-7H3,(H,37,39)/b24-12+,25-15+,26-16+/t35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYLMCVWEUMKMAG-YSNLIDFFSA-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