General Information of the Compound
Compound ID
CP0383025
Compound Name
(Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-3-(4-hydroxyphenyl)-2-methoxyprop-2-enamide
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Structure
Formula
C18H19NO5
Molecular Weight
329.352
Canonical SMILES
CO\C(=C/c1ccc(O)cc1)C(=O)NCC(O)c1ccc(O)cc1
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InChI
InChI=1S/C18H19NO5/c1-24-17(10-12-2-6-14(20)7-3-12)18(23)19-11-16(22)13-4-8-15(21)9-5-13/h2-10,16,20-22H,11H2,1H3,(H,19,23)/b17-10-
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InChIKey
DEIGDDBJHQFPRY-YVLHZVERSA-N
Physicochemical Property
logP
1.9349
Rotatable Bonds
6
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).

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PubChem ID
CID: 46232496
ChEMBL ID
CHEMBL599747
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
   TI
   LI
   LO
   TS