4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylic acid

HCID 57747388
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Basic information

Standard SMILES
Cc1cc(-c2ccc(C(=O)O)cc2)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc2c1ncn2C
InChIKey
LSWLDOLEVNOTEO-UHFFFAOYSA-N
Molecular formula
C28H22N6O3
Average molar mass
490.5 g/mol

Names & identifiers

Preferred name
4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylic acid
IUPAC
4-[4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-3,5-dimethylphenyl]benzoic acid

Names & synonyms

SCHEMBL4110938LSWLDOLEVNOTEO-UHFFFAOYSA-N4'-(2-(4-Cyanophenylamino)-9-methyl-9H-purin-6-yloxy)-3',5'-dimethylbiphenyl-4-carboxylic acid

Database identifiers

PubChem CID
57747388

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
37

Related reactions

5 records
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Compound notes

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