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CHEBI:149877 - Ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate

ChEBI IDCHEBI:149877
ChEBI NameEthyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate
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DownloadsMolfile
FormulaC27H27ClN6O4
Net Charge0
Average Mass535.004
Monoisotopic Mass534.17823
SMILESCCOC(=O)c1c(C)nc(NCCCCNc2ccnc3cc(Cl)ccc23)nc1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C27H27ClN6O4/c1-3-38-26(35)24-17(2)32-27(33-25(24)20-8-4-5-9-23(20)34(36)37)31-14-7-6-13-29-21-12-15-30-22-16-18(28)10-11-19(21)22/h4-5,8-12,15-16H,3,6-7,13-14H2,1-2H3,(H,29,30)(H,31,32,33)
InChIKeyJVOMNKYMODNGMU-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
Ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate (CHEBI:149877) has role anticoronaviral agent (CHEBI:149553)
Ethyl 2-[4-[(7-chloroquinolin-4-yl)amino]butylamino]-4-methyl-6-(2-nitrophenyl)pyrimidine-5-carboxylate (CHEBI:149877) is a pyrimidines (CHEBI:39447)