General Information of the Compound
| Compound ID |
CP0440992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3,5-Bis-trifluoromethyl-phenyl)-3-isoquinolin-5-yl-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H11F6N3O
|
||||||||||||||||||
| Molecular Weight |
399.294
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)Nc2cccc3cnccc23)cc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H11F6N3O/c19-17(20,21)11-6-12(18(22,23)24)8-13(7-11)26-16(28)27-15-3-1-2-10-9-25-5-4-14(10)15/h1-9H,(H2,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKLFTQRSYHFUFQ-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