BDBM50014260 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione::3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione::3,7-dimethylpurine-2,6-dione::3,7-dimethylxanthine::CHEMBL1114::Theobromin::theobromine

SMILES: Cn1cnc2n(C)c(=O)[nH]c(=O)c12

InChI Key: InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N

Data: 13 KI  5 IC50

PDB links: 4 PDB IDs match this monomer.

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Substructure Similarity at least:  must be >=0.5 Exact match