General Information of the Compound
| Compound ID |
CP0521337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-3-[6-(3-hydroxy-4-pyridin-2-ylphenoxy)pyridin-3-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H36N4O5
|
||||||||||||||||||
| Molecular Weight |
628.729
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCc3ccc(NC(=O)\C=C\c4ccc(Oc5ccc(c(O)c5)-c5ccccn5)nc4)cc3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H36N4O5/c1-45-35-21-28-17-20-42(25-29(28)22-36(35)46-2)19-16-26-6-10-30(11-7-26)41-37(44)14-8-27-9-15-38(40-24-27)47-31-12-13-32(34(43)23-31)33-5-3-4-18-39-33/h3-15,18,21-24,43H,16-17,19-20,25H2,1-2H3,(H,41,44)/b14-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYNJRYIKCHORCU-RIYZIHGNSA-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