BDBM10850 1-(5-Oxohexyl)theobromine (pentoxifylline)::3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione::3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione::CHEMBL628::Pentoxifylline::Pentoxil::Pentoxyphylline

SMILES: CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O

InChI Key: InChIKey=BYPFEZZEUUWMEJ-UHFFFAOYSA-N

Data: 9 KI  15 IC50  10 Kd

PDB links: 4 PDB IDs match this monomer.

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