General Information of the Compound
| Compound ID |
CP0460826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[6-(4-pyridin-2-ylphenoxy)pyridin-2-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H36N4O4
|
||||||||||||||||||
| Molecular Weight |
612.73
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4cccc(Oc5ccc(cc5)-c5ccccn5)n4)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H36N4O4/c1-44-35-24-29-20-23-42(26-30(29)25-36(35)45-2)22-19-27-9-13-32(14-10-27)40-37(43)18-15-31-6-5-8-38(41-31)46-33-16-11-28(12-17-33)34-7-3-4-21-39-34/h3-18,21,24-25H,19-20,22-23,26H2,1-2H3,(H,40,43)/b18-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DAFILJFYTCBHJA-OBGWFSINSA-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