General Information of the Compound
| Compound ID |
CP0531224
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 4-[1-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]triazol-4-yl]-2-(quinoline-2-carbonylamino)benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C39H36N6O5
|
||||||||||||||||||
| Molecular Weight |
668.754
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1ccc(cc1NC(=O)c1ccc2ccccc2n1)-c1cn(nn1)-c1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H36N6O5/c1-48-36-21-27-17-19-44(23-29(27)22-37(36)49-2)18-16-25-8-12-30(13-9-25)45-24-35(42-43-45)28-10-14-31(39(47)50-3)34(20-28)41-38(46)33-15-11-26-6-4-5-7-32(26)40-33/h4-15,20-22,24H,16-19,23H2,1-3H3,(H,41,46)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRJQTHFUFBMEDE-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