General Information of the Compound
Compound ID
CP0381037
Compound Name
5,7-dimethoxy-6-methyl-2-phenylchromen-4-one
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Structure
Formula
C18H16O4
Molecular Weight
296.322
Canonical SMILES
COc1cc2oc(cc(=O)c2c(OC)c1C)-c1ccccc1
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InChI
InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
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InChIKey
LDGCKWYSZUGWHS-UHFFFAOYSA-N
Physicochemical Property
logP
3.78562
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
48.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44257640
ChEMBL ID
CHEMBL1685069
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 = 19000 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 = 5900 nM
   TI
   LI
   LO
   TS
CL000756 MCF/MX Homo sapiens (Human)  1
1
IC50 = 8000 nM
   TI
   LI
   LO
   TS