General Information of the Compound
Compound ID
CP0444733
Compound Name
7-hydroxy-2-oxo-6-phenylchromene-3-carboxylic acid
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Structure
Formula
C16H10O5
Molecular Weight
282.251
Canonical SMILES
OC(=O)c1cc2cc(c(O)cc2oc1=O)-c1ccccc1
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InChI
InChI=1S/C16H10O5/c17-13-8-14-10(7-12(15(18)19)16(20)21-14)6-11(13)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)
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InChIKey
FEWKQLPIXYESHB-UHFFFAOYSA-N
Physicochemical Property
logP
2.8638
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
87.74
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 150149078
ChEMBL ID
CHEMBL4875041
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  3
1
EC50 = 2740 nM
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   LI
   LO
   TS
2
IC50 = 330 nM
   TI
   LI
   LO
   TS
3
IC50 = 2030 nM
   TI
   LI
   LO
   TS