General Information of the Compound
| Compound ID |
CP0467274
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Benzo[1,3]dioxol-5-yl-3-[3-(2-{[5-(2-chloro-phenyl)-furan-2-ylmethyl]-amino}-quinolin-8-yloxy)-propyl]-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27ClN4O5
|
||||||||||||||||||
| Molecular Weight |
571.033
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccccc1-c1ccc(CNc2ccc3cccc(OCCCNC(=O)Nc4ccc5OCOc5c4)c3n2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27ClN4O5/c32-24-7-2-1-6-23(24)25-13-11-22(41-25)18-34-29-14-9-20-5-3-8-27(30(20)36-29)38-16-4-15-33-31(37)35-21-10-12-26-28(17-21)40-19-39-26/h1-3,5-14,17H,4,15-16,18-19H2,(H,34,36)(H2,33,35,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUDMBVUMZJVRKQ-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