General Information of the Compound
| Compound ID |
CP0422161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-(5-pyrimidin-2-ylsulfanylpentyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32F2N4OS
|
||||||||||||||||||
| Molecular Weight |
450.599
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCCSc1ncccn1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32F2N4OS/c1-2-3-4-5-7-15-29(23(30)28-21-12-11-19(24)18-20(21)25)16-8-6-9-17-31-22-26-13-10-14-27-22/h10-14,18H,2-9,15-17H2,1H3,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWAUZUVZWBIKKX-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