General Information of the Compound
Compound ID
CP0426847
Compound Name
(2E,4E)-1-(2-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
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Structure
Formula
C17H14O2
Molecular Weight
250.297
Canonical SMILES
Oc1ccccc1C(=O)\C=C\C=C\c1ccccc1
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InChI
InChI=1S/C17H14O2/c18-16(15-11-5-7-13-17(15)19)12-6-4-10-14-8-2-1-3-9-14/h1-13,19H/b10-4+,12-6+
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InChIKey
DXWDXKXZKZQFAW-PHFXQHTASA-N
CAS
41420-57-9
Physicochemical Property
logP
3.8445
Rotatable Bonds
4
Heavy Atom Count
19
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
19

"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).

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PubChem ID
CID: 1550573
SID: 16473377
ChEMBL ID
CHEMBL244661
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: PT01362, Amine oxidase [flavin-containing] B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 105.51 nM
   TI
   LI
   LO
   TS