General Information of the Compound
| Compound ID |
CP0380666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27BrN4O3
|
||||||||||||||||||
| Molecular Weight |
463.376
|
||||||||||||||||||
| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2ccno2)ccc1OC1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27BrN4O3/c22-18-13-15(1-2-19(18)28-17-3-8-23-9-4-17)14-26-11-6-16(7-12-26)25-21(27)20-5-10-24-29-20/h1-2,5,10,13,16-17,23H,3-4,6-9,11-12,14H2,(H,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOQYJFOQXYQRAE-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