General Information of the Compound
Compound ID
CP0440098
Compound Name
2-[4-[2-(2-azidoethoxy)ethoxy]phenyl]chromen-4-one
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Structure
Formula
C19H17N3O4
Molecular Weight
351.362
Canonical SMILES
[N-]=[N+]=NCCOCCOc1ccc(cc1)-c1cc(=O)c2ccccc2o1
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InChI
InChI=1S/C19H17N3O4/c20-22-21-9-10-24-11-12-25-15-7-5-14(6-8-15)19-13-17(23)16-3-1-2-4-18(16)26-19/h1-8,13H,9-12H2
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InChIKey
JFEKYQYTYUYGEH-UHFFFAOYSA-N
Physicochemical Property
logP
4.1657
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
97.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 89784337
ChEMBL ID
CHEMBL4282449
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
CL000462 HEKR2 Homo sapiens (Human)  1
1
EC50 = 365 nM
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