General Information of the Compound
| Compound ID |
CP0511074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-difluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27BrClF2N3O3
|
||||||||||||||||||
| Molecular Weight |
594.884
|
||||||||||||||||||
| Canonical SMILES |
OC1(CNC(=O)Nc2c(F)cccc2F)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27BrClF2N3O3/c28-20-6-9-24(37-16-18-4-7-21(29)8-5-18)19(14-20)15-34-12-10-27(36,11-13-34)17-32-26(35)33-25-22(30)2-1-3-23(25)31/h1-9,14,36H,10-13,15-17H2,(H2,32,33,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOCODJVQCMYULP-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