General Information of the Compound
| Compound ID |
CP0520980
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[6-(3,5-dihydroxy-4-pyridin-2-ylphenoxy)pyridin-3-yl]-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H36N4O6
|
||||||||||||||||||
| Molecular Weight |
644.728
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5cc(O)c(c(O)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H36N4O6/c1-46-34-19-27-15-18-42(24-28(27)20-35(34)47-2)17-14-25-6-10-29(11-7-25)41-36(45)12-8-26-9-13-37(40-23-26)48-30-21-32(43)38(33(44)22-30)31-5-3-4-16-39-31/h3-13,16,19-23,43-44H,14-15,17-18,24H2,1-2H3,(H,41,45)/b12-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DJLPXIBLGXRMRA-XYOKQWHBSA-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