General Information of the Compound
| Compound ID |
CP0537984
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-[2-hydroxy-4,6-dimethoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-piperazin-1-ylphenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N2O4
|
||||||||||||||||||
| Molecular Weight |
436.552
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(C(=O)\C=C\c2ccc(cc2)N2CCNCC2)c(O)c1CC=C(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N2O4/c1-18(2)5-11-21-23(31-3)17-24(32-4)25(26(21)30)22(29)12-8-19-6-9-20(10-7-19)28-15-13-27-14-16-28/h5-10,12,17,27,30H,11,13-16H2,1-4H3/b12-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCRWNBIKQSFACQ-XYOKQWHBSA-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