General Information of the Compound
| Compound ID |
CP0532993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-3-(5-chloro-6-methoxypyridin-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C16H15BrClN3O3
|
||||||||||||||||||
| Molecular Weight |
412.671
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(NC(=O)NC2COc3ccc(Br)cc3C2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H15BrClN3O3/c1-23-15-13(18)6-11(7-19-15)20-16(22)21-12-5-9-4-10(17)2-3-14(9)24-8-12/h2-4,6-7,12H,5,8H2,1H3,(H2,20,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLXUUKCOJZHPIK-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