General Information of the Compound
| Compound ID |
CP0497266
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,4-Difluoro-phenyl)-1-[5-(1,4-diphenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-1-heptyl-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40F2N4OS
|
||||||||||||||||||
| Molecular Weight |
590.784
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(cn1-c1ccccc1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-39(33(41)37-31-21-20-28(35)25-30(31)36)23-14-8-15-24-42-34-38-32(27-16-9-6-10-17-27)26-40(34)29-18-11-7-12-19-29/h6-7,9-12,16-21,25-26H,2-5,8,13-15,22-24H2,1H3,(H,37,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFWPWLRPDFFJNH-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