General Information of the Compound
Compound ID
CP0271942
Compound Name
6-Methoxy-2-phenyl-chromen-4-one
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Structure
Formula
C16H12O3
Molecular Weight
252.269
Canonical SMILES
COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
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InChI
InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11/h2-10H,1H3
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InChIKey
XZQLSABETMKIGG-UHFFFAOYSA-N
CAS
26964-24-9
Physicochemical Property
logP
3.4686
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
39.44
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
19

"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: 147157
ChEMBL ID
CHEMBL137586
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 15000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS