General Information of the Compound
| Compound ID |
CP0485848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,4-Difluoro-phenyl)-1-heptyl-1-[5-(4-phenyl-1H-imidazol-2-ylsulfanyl)-pentyl]-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36F2N4OS
|
||||||||||||||||||
| Molecular Weight |
514.686
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc(c[nH]1)-c1ccccc1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36F2N4OS/c1-2-3-4-5-10-17-34(28(35)33-25-16-15-23(29)20-24(25)30)18-11-7-12-19-36-27-31-21-26(32-27)22-13-8-6-9-14-22/h6,8-9,13-16,20-21H,2-5,7,10-12,17-19H2,1H3,(H,31,32)(H,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VXOLOMVFGYQIDM-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