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

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ChEBI Name Methyl 2-[3-[(7-chloro-4-quinolyl)amino]propylamino]-4-methyl-6-phenyl-pyrimidine-5-carboxylate
ChEBI ID CHEBI:149876
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H24ClN5O2
Net Charge 0
Average Mass 461.950
Monoisotopic Mass 461.16185
InChI InChI=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)
InChIKey CKKBASYLVUNGDG-UHFFFAOYSA-N
SMILES C1=C(C=C2C(=C1)C(=CC=N2)NCCCNC3=NC(=C(C(=N3)C4=CC=CC=C4)C(OC)=O)C)Cl
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing 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)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL