General Information of the Compound
| Compound ID |
CP0407650
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27F4N5O3S
|
||||||||||||||||||
| Molecular Weight |
517.549
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(29-20)22(24,25)26)13-28-21(32)27-12-15-3-5-18(17(23)11-15)30-35(2,33)34/h3-6,11,14,30H,7-10,12-13H2,1-2H3,(H2,27,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VABNNCGYIYKYGL-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