General Information of the Compound
| Compound ID |
CP0500416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E,4E)-5-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)penta-2,4-dien-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H13ClO3
|
||||||||||||||||||
| Molecular Weight |
300.741
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C(=O)\C=C\C=C\c2ccc(Cl)cc2)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H13ClO3/c18-13-7-5-12(6-8-13)3-1-2-4-16(20)15-10-9-14(19)11-17(15)21/h1-11,19,21H/b3-1+,4-2+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFSHJLWFYLYSAX-ZPUQHVIOSA-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: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B