General Information of the Compound
Compound ID
CP0434803
Compound Name
3-(4-methoxyphenyl)benzo[f]chromen-1-one
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Structure
Formula
C20H14O3
Molecular Weight
302.329
Canonical SMILES
COc1ccc(cc1)-c1cc(=O)c2c(ccc3ccccc23)o1
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InChI
InChI=1S/C20H14O3/c1-22-15-9-6-14(7-10-15)19-12-17(21)20-16-5-3-2-4-13(16)8-11-18(20)23-19/h2-12H,1H3
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InChIKey
LNVFIVSNGPLFPU-UHFFFAOYSA-N
Physicochemical Property
logP
4.6218
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 281852
ChEMBL ID
CHEMBL2420093
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
CL000036 MDCK-II Canis lupus familiaris (Dog)  2
1
IC50 = 1690 nM
   TI
   LI
   LO
   TS
2
IC50 = 2460 nM
   TI
   LI
   LO
   TS