General Information of the Compound
| Compound ID |
CP0555191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(4-Benzoyl-piperidin-1-ylmethyl)-phenyl]-3-(2,5-difluoro-phenyl)-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25F2N3O2
|
||||||||||||||||||
| Molecular Weight |
449.501
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(F)c(NC(=O)Nc2ccccc2CN2CCC(CC2)C(=O)c2ccccc2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25F2N3O2/c27-21-10-11-22(28)24(16-21)30-26(33)29-23-9-5-4-8-20(23)17-31-14-12-19(13-15-31)25(32)18-6-2-1-3-7-18/h1-11,16,19H,12-15,17H2,(H2,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VSABHQVLBAWRRF-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