General Information of the Compound
| Compound ID |
CP0490396
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3,4-dichlorophenyl)-N-(5-(4-(4-hydroxyphenyl)piperidin-1-yl)pentyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
461.433
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)C1CCN(CCCCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30Cl2N2O2/c26-23-10-4-19(18-24(23)27)5-11-25(31)28-14-2-1-3-15-29-16-12-21(13-17-29)20-6-8-22(30)9-7-20/h4-11,18,21,30H,1-3,12-17H2,(H,28,31)/b11-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWHVEWAXEFJHOY-VZUCSPMQSA-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