General Information of the Compound
Compound ID
CP0476360
Compound Name
6-phenylchromen-2-one
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Structure
Formula
C15H10O2
Molecular Weight
222.243
Canonical SMILES
O=c1ccc2cc(ccc2o1)-c1ccccc1
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InChI
InChI=1S/C15H10O2/c16-15-9-7-13-10-12(6-8-14(13)17-15)11-4-2-1-3-5-11/h1-10H
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InChIKey
DTKWJHIAZGYBLD-UHFFFAOYSA-N
Physicochemical Property
logP
3.46
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 14001634
SID: 117640954
ChEMBL ID
CHEMBL1650717
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: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000078 T-47D Homo sapiens (Human)  1
1
IC50 = 510 nM
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