General Information of the Compound
| Compound ID |
CP0552436
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-chloroisoquinolin-8-yl)methyl]-3-(2,3-dichlorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
380.662
|
||||||||||||||||||
| Canonical SMILES |
Clc1cccc(NC(=O)NCc2ccc(Cl)c3ccncc23)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12Cl3N3O/c18-13-5-4-10(12-9-21-7-6-11(12)13)8-22-17(24)23-15-3-1-2-14(19)16(15)20/h1-7,9H,8H2,(H2,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVCSNAWZOWZPTG-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