General Information of the Compound
Compound ID
CP0521858
Compound Name
(E)-1-[2,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
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Structure
Formula
C24H18O4
Molecular Weight
370.404
Canonical SMILES
Oc1cc(O)c(cc1C(=O)\C=C\c1ccccc1)C(=O)\C=C\c1ccccc1
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InChI
InChI=1S/C24H18O4/c25-21(13-11-17-7-3-1-4-8-17)19-15-20(24(28)16-23(19)27)22(26)14-12-18-9-5-2-6-10-18/h1-16,27-28H/b13-11+,14-12+
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InChIKey
CAAJXTJDBCGUNB-PHEQNACWSA-N
Physicochemical Property
logP
4.89
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 5937788
SID: 136366963
ChEMBL ID
CHEMBL1928921
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: PT01718, Nitric oxide synthase, inducible
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000214 BV-2 Mus musculus (Mouse)  1
1
IC50 = 5440 nM
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Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
EC50 = 4080 nM
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