General Information of the Compound
Compound ID
CP0510456
Compound Name
(Z)-N-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
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Structure
Formula
C19H19NO4
Molecular Weight
325.364
Canonical SMILES
CO\C(=C/c1ccc(OC)cc1)C(=O)N\C=C\c1ccc(O)cc1
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InChI
InChI=1S/C19H19NO4/c1-23-17-9-5-15(6-10-17)13-18(24-2)19(22)20-12-11-14-3-7-16(21)8-4-14/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13-
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InChIKey
HSLKDPYRCNVSQS-FEYWXZCKSA-N
Physicochemical Property
logP
3.1752
Rotatable Bonds
6
Heavy Atom Count
24
Polar Areas
67.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
24

"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: 46232498
SID: 99218973
ChEMBL ID
CHEMBL599745
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 = 6400 nM
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