General Information of the Compound
Compound ID
CP0713308
Compound Name
2-Hydroxy-4-(biphenyl-4-yl)-4-oxobut-2-enoic acid
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Formula
C16H12O4
Molecular Weight
268.268
Canonical SMILES
O=C(O)/C(O)=C/C(=O)c1ccc(-c2ccccc2)cc1
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InChI
InChI=1S/C16H12O4/c17-14(10-15(18)16(19)20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,18H,(H,19,20)/b15-10-
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InChIKey
CJRASSAFVIXUOU-GDNBJRDFSA-N
Physicochemical Property
logP
3.0628
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
74.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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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ChEMBL ID
CHEMBL1829211
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: PT01174, Polymerase acidic protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
EC50 = 3560 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3700 nM
2 Ki = 960 nM