General Information of the Compound
Compound ID
CP0569847
Compound Name
7-(2-azidoethoxy)-2-phenylchromen-4-one
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Structure
Formula
C17H13N3O3
Molecular Weight
307.309
Canonical SMILES
[N-]=[N+]=NCCOc1ccc2c(c1)oc(cc2=O)-c1ccccc1
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InChI
InChI=1S/C17H13N3O3/c18-20-19-8-9-22-13-6-7-14-15(21)11-16(23-17(14)10-13)12-4-2-1-3-5-12/h1-7,10-11H,8-9H2
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InChIKey
SYSNRKNPYMAUAZ-UHFFFAOYSA-N
Physicochemical Property
logP
4.1491
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
88.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 89784658
ChEMBL ID
CHEMBL4279207
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 = 212.5 nM
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