General Information of the Compound
| Compound ID |
CP0423944
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-Chloro-hexyl)-3-[2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClF6N2O2
|
||||||||||||||||||
| Molecular Weight |
470.841
|
||||||||||||||||||
| Canonical SMILES |
OC(c1ccc2ccccc2c1NC(=O)NCCCCCCCl)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClF6N2O2/c21-11-5-1-2-6-12-28-17(30)29-16-14-8-4-3-7-13(14)9-10-15(16)18(31,19(22,23)24)20(25,26)27/h3-4,7-10,31H,1-2,5-6,11-12H2,(H2,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VTCFPYMKUJRFJQ-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