General Information of the Compound
| Compound ID |
CP0575891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(5-fluoropyridin-2-yl)methyl]-3-[[4-(3-methylbutyl)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H35FN4O
|
||||||||||||||||||
| Molecular Weight |
426.58
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCc1ccc(CNC(=O)N(Cc2ccc(F)cn2)C2CCN(C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35FN4O/c1-19(2)4-5-20-6-8-21(9-7-20)16-28-25(31)30(24-12-14-29(3)15-13-24)18-23-11-10-22(26)17-27-23/h6-11,17,19,24H,4-5,12-16,18H2,1-3H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTIYKFZALMMSIV-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