General Information of the Compound
Compound ID
CP0421559
Compound Name
3-(4-hydroxyphenyl)-N-(4-hydroxystyryl)acrylamide
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Structure
Formula
C17H15NO3
Molecular Weight
281.311
Canonical SMILES
Oc1ccc(\C=C\NC(=O)\C=C\c2ccc(O)cc2)cc1
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InChI
InChI=1S/C17H15NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-12,19-20H,(H,18,21)/b10-5+,12-11+
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InChIKey
KQOAXPONBXVESE-WKWSCTOISA-N
Physicochemical Property
logP
2.8981
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
69.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 46232495
ChEMBL ID
CHEMBL599746
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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000836 H460/MX20 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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