General Information of the Compound
| Compound ID |
CP0540084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)oxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H25F3N4O3
|
||||||||||||||||||
| Molecular Weight |
534.538
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(Cc4ccccc4)CCc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H25F3N4O3/c30-29(31,32)39-23-13-11-22(12-14-23)34-28(37)35-25-9-5-16-33-27(25)38-26-10-4-8-21-19-36(17-15-24(21)26)18-20-6-2-1-3-7-20/h1-14,16H,15,17-19H2,(H2,34,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IJIDVLDTQYWFHT-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