General Information of the Compound
Compound ID
CP0434122
Compound Name
2-hydroxy-3-phenylbenzo[f]chromen-1-one
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Structure
Formula
C19H12O3
Molecular Weight
288.302
Canonical SMILES
Oc1c(oc2ccc3ccccc3c2c1=O)-c1ccccc1
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InChI
InChI=1S/C19H12O3/c20-17-16-14-9-5-4-6-12(14)10-11-15(16)22-19(18(17)21)13-7-2-1-3-8-13/h1-11,21H
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InChIKey
TZHXWYOGUNJXMS-UHFFFAOYSA-N
Physicochemical Property
logP
4.3188
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
50.44
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 54341571
ChEMBL ID
CHEMBL2420095
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 = 11000 nM
   TI
   LI
   LO
   TS
2
IC50 = 13600 nM
   TI
   LI
   LO
   TS