General Information of the Compound
Compound ID
CP0541623
Compound Name
3-(3,4-dihydroxyphenyl)-N-(4-hydroxystyryl)-2-methoxyacrylamide
    Show/Hide
Structure
Formula
C18H17NO5
Molecular Weight
327.336
Canonical SMILES
CO\C(=C/c1ccc(O)c(O)c1)C(=O)N\C=C\c1ccc(O)cc1
    Show/Hide
InChI
InChI=1S/C18H17NO5/c1-24-17(11-13-4-7-15(21)16(22)10-13)18(23)19-9-8-12-2-5-14(20)6-3-12/h2-11,20-22H,1H3,(H,19,23)/b9-8+,17-11-
    Show/Hide
InChIKey
CYLIDDWGNZLNAO-JMAVEDQASA-N
Physicochemical Property
logP
2.5778
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
99.02
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46232536
ChEMBL ID
CHEMBL598642
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 = 18800 nM
   TI
   LI
   LO
   TS