General Information of the Compound
Compound ID
CP0537463
Compound Name
2-(2-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
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Structure
Formula
C16H14O4
Molecular Weight
270.284
Canonical SMILES
COc1ccc2C(=O)CC(Oc2c1)c1ccccc1O
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InChI
InChI=1S/C16H14O4/c1-19-10-6-7-12-14(18)9-16(20-15(12)8-10)11-4-2-3-5-13(11)17/h2-8,16-17H,9H2,1H3
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InChIKey
ZZXXFILYXOTTJG-UHFFFAOYSA-N
Physicochemical Property
logP
3.1073
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
55.76
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 371219
ChEMBL ID
CHEMBL1977891
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000141 LNCaP Homo sapiens (Human)  1
1
IC50 > 10000 nM
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