General Information of the Compound
Compound ID
CP0510455
Compound Name
(Z)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxy-3-phenylprop-2-enamide
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Structure
Formula
C18H17NO3
Molecular Weight
295.338
Canonical SMILES
CO\C(=C/c1ccccc1)C(=O)N\C=C\c1ccc(O)cc1
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InChI
InChI=1S/C18H17NO3/c1-22-17(13-15-5-3-2-4-6-15)18(21)19-12-11-14-7-9-16(20)10-8-14/h2-13,20H,1H3,(H,19,21)/b12-11+,17-13-
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InChIKey
UGNKBZMQVZDJGA-VBEVGYOXSA-N
Physicochemical Property
logP
3.1666
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 46232497
ChEMBL ID
CHEMBL599744
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 = 15400 nM
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