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CHEBI:149876 - Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate

ChEBI IDCHEBI:149876
ChEBI NameMethyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate
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FormulaC25H24ClN5O2
Net Charge0
Average Mass461.953
Monoisotopic Mass461.16185
SMILESCOC(=O)c1c(C)nc(NCCCNc2ccnc3cc(Cl)ccc23)nc1-c1ccccc1
InChIInChI=1S/C25H24ClN5O2/c1-16-22(24(32)33-2)23(17-7-4-3-5-8-17)31-25(30-16)29-13-6-12-27-20-11-14-28-21-15-18(26)9-10-19(20)21/h3-5,7-11,14-15H,6,12-13H2,1-2H3,(H,27,28)(H,29,30,31)
InChIKeyCKKBASYLVUNGDG-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate (CHEBI:149876) has role anticoronaviral agent (CHEBI:149553)
Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate (CHEBI:149876) is a pyrimidines (CHEBI:39447)