General Information of the Compound
Compound ID |
CP0537135
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-oxo-N-(4-phenylbutyl)-6-piperidin-1-yl-1,3-benzoxazole-3-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C23H28ClN3O3
|
||||||||||||||||||
Molecular Weight |
429.948
|
||||||||||||||||||
Canonical SMILES |
Cl.O=C(NCCCCc1ccccc1)n1c2ccc(cc2oc1=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C23H27N3O3.ClH/c27-22(24-14-6-5-11-18-9-3-1-4-10-18)26-20-13-12-19(17-21(20)29-23(26)28)25-15-7-2-8-16-25;/h1,3-4,9-10,12-13,17H,2,5-8,11,14-16H2,(H,24,27);1H
Show/Hide
|
||||||||||||||||||
InChIKey |
XWGUEQLJYRJVFA-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