General Information of the Compound
Compound ID
CP0397338
Compound Name
2-methoxy-3-phenylbenzo[f]chromen-1-one
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Structure
Formula
C20H14O3
Molecular Weight
302.329
Canonical SMILES
COc1c(oc2ccc3ccccc3c2c1=O)-c1ccccc1
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InChI
InChI=1S/C20H14O3/c1-22-20-18(21)17-15-10-6-5-7-13(15)11-12-16(17)23-19(20)14-8-3-2-4-9-14/h2-12H,1H3
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InChIKey
PPTRAGGJWOFFFH-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: 73349190
ChEMBL ID
CHEMBL2420098
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 = 11100 nM
   TI
   LI
   LO
   TS
2
IC50 = 12500 nM
   TI
   LI
   LO
   TS