BDBM50329608 6-methyl-5-(3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl)pyrimidine-2,4-diamine::6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine::CHEMBL1230365::Propargyl-substituted antifolate, 14

SMILES: COc1cc(cc(OC)c1OC)C(C)(C)C#Cc1c(C)nc(N)nc1N

InChI Key: InChIKey=FJNFXXGWYVMQNA-UHFFFAOYSA-N

Data: 1 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