General Information of the Compound
| Compound ID |
CP0430862
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2,4-difluorophenyl)-1-heptyl-1-[5-(1H-1,2,4-triazol-5-ylsulfanyl)pentyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H31F2N5OS
|
||||||||||||||||||
| Molecular Weight |
439.576
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCN(CCCCCSc1nc[nH]n1)C(=O)Nc1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H31F2N5OS/c1-2-3-4-5-7-12-28(13-8-6-9-14-30-20-24-16-25-27-20)21(29)26-19-11-10-17(22)15-18(19)23/h10-11,15-16H,2-9,12-14H2,1H3,(H,26,29)(H,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCFUGIRPFMYASS-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