General Information of the Compound
| Compound ID |
CP0957070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-[2-[(2R)-2-hydroxy-3-piperidin-1-ylpropoxy]phenyl]-3-phenylprop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27NO3
|
||||||||||||||||||
| Molecular Weight |
365.473
|
||||||||||||||||||
| Canonical SMILES |
O=C(/C=C/c1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-14,20,25H,2,7-8,15-18H2/b14-13+/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QDPFVWGPFYMKCV-FBRRREGBSA-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