General Information of the Compound
Compound ID
CP0858821
Compound Name
7-hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-5-yl 4-methoxybenzoate
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Structure
Formula
C24H18O7
Molecular Weight
418.401
Canonical SMILES
COc1ccc(C(=O)Oc2cc(O)cc3oc(-c4ccc(OC)cc4)cc(=O)c23)cc1
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InChI
InChI=1S/C24H18O7/c1-28-17-7-3-14(4-8-17)20-13-19(26)23-21(30-20)11-16(25)12-22(23)31-24(27)15-5-9-18(29-2)10-6-15/h3-13,25H,1-2H3
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InChIKey
RCBFOXVSFKMIRG-UHFFFAOYSA-N
Physicochemical Property
logP
4.402
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
95.2
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
31

"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: 24993460
SID: 56335426
ChEMBL ID
CHEMBL3968881
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: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2040 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4100 nM
   TI
   LI
   LO
   TS