General Information of the Compound
| Compound ID |
CP0557578
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[2-[1-(2-methylpropyl)piperidin-4-yl]phenoxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31F3N4O3
|
||||||||||||||||||
| Molecular Weight |
528.575
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CN1CCC(CC1)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31F3N4O3/c1-19(2)18-35-16-13-20(14-17-35)23-6-3-4-8-25(23)37-26-24(7-5-15-32-26)34-27(36)33-21-9-11-22(12-10-21)38-28(29,30)31/h3-12,15,19-20H,13-14,16-18H2,1-2H3,(H2,33,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQTOUSPLFRWUSY-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