General Information of the Compound
| Compound ID |
CP0543617
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41FN4O2
|
||||||||||||||||||
| Molecular Weight |
484.66
|
||||||||||||||||||
| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(CCN(C)C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41FN4O2/c1-22(2)21-35-27-11-7-23(8-12-27)19-30-28(34)33(20-24-5-9-25(29)10-6-24)26-13-15-32(16-14-26)18-17-31(3)4/h5-12,22,26H,13-21H2,1-4H3,(H,30,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMHDNEMWDXHBSL-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 | |||||||||||||||||||
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