General Information of the Compound
| Compound ID |
CP0675917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(pyridin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H17NO4
|
||||||||||||||||||
| Molecular Weight |
299.326
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(/C=C/C(=O)c2ccncc2)c(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H17NO4/c1-20-15-7-5-13(16(21-2)17(15)22-3)4-6-14(19)12-8-10-18-11-9-12/h4-11H,1-3H3/b6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QKPIWKMIIRSWKS-GQCTYLIASA-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
Protein ID: PT02204, Cytochrome P450 1A1
Protein ID: PT01002, Cytochrome P450 1A2
Protein ID: PT02205, Cytochrome P450 1B1
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00817, Cytochrome P450 2D6
Protein ID: PT00986, Cytochrome P450 3A4