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Caffeine

Chemical compound

Overview Structured Data Issues Contributors Activity

Is a

Chemical substance

Chemical Substance attributes

ChEMBL ID

CHEMBL113

CAS Registry Number

58-08-2

Canonical SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)C

PDB Ligand ID

CFF

DSSTox ID

DTXSID0020232

UNII

3G6A5W338E

Other attributes

Wikidata ID

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