General Information of the Compound
| Compound ID |
CP0531222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-propanoylphenyl]-6-methoxypyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C37H38N6O5
|
||||||||||||||||||
| Molecular Weight |
646.748
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)c1ccc(cc1NC(=O)c1cccc(OC)n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H38N6O5/c1-5-33(44)29-14-11-26(19-31(29)39-37(45)30-7-6-8-36(38-30)48-4)32-23-43(41-40-32)28-12-9-24(10-13-28)15-17-42-18-16-25-20-34(46-2)35(47-3)21-27(25)22-42/h6-14,19-21,23H,5,15-18,22H2,1-4H3,(H,39,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PHKQLPGNXYCFCB-UHFFFAOYSA-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