General Information of the Compound
| Compound ID |
CP0465652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-chlorophenyl)-2-[[1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]triazol-4-yl]methoxy]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30ClN5O4
|
||||||||||||||||||
| Molecular Weight |
548.043
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN(CCn3cc(COc4ccccc4C(=O)Nc4ccc(Cl)cc4)nn3)Cc2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30ClN5O4/c1-37-27-15-20-11-12-34(17-21(20)16-28(27)38-2)13-14-35-18-24(32-33-35)19-39-26-6-4-3-5-25(26)29(36)31-23-9-7-22(30)8-10-23/h3-10,15-16,18H,11-14,17,19H2,1-2H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBDZENAQSFTMMG-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 | |||||||||||||||||||
| 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