General Information of the Compound
| Compound ID |
CP0554228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,4-difluorophenyl)-1-hexyl-1-[5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pentyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34F2N4OS
|
||||||||||||||||||
| Molecular Weight |
488.648
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCN(CCCCCSc1nc2cc(C)ccc2[nH]1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34F2N4OS/c1-3-4-5-7-14-32(26(33)31-22-13-11-20(27)18-21(22)28)15-8-6-9-16-34-25-29-23-12-10-19(2)17-24(23)30-25/h10-13,17-18H,3-9,14-16H2,1-2H3,(H,29,30)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MGTFXNUCMYHIJG-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