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CHEBI:46742 - Nutlin-3

ChEBI IDCHEBI:46742
ChEBI NameNutlin-3
Stars
Last Modified23 April 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H30Cl2N4O4
Net Charge0
Average Mass581.500
Monoisotopic Mass580.16441
SMILESCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N2C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
InChIInChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m1/s1
InChIKeyBDUHCSBCVGXTJM-IZLXSDGUSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Nutlin-3 (CHEBI:46742) has role anticoronaviral agent (CHEBI:149553)
Nutlin-3 (CHEBI:46742) is a Nutlin (CHEBI:46741)
Nutlin-3 (CHEBI:46742) is a piperazinone (CHEBI:46846)
IUPAC Name 
rel-4-{[(4R,5S)-4,5-bis(4-chlorophenyl)-2-{2-[(propan-2-yl)oxy]-4-methoxyphenyl}-4,5-dihydro-1H-imidazol-1-yl]carbonyl}piperazin-2-one
Synonyms  Source
cis-4-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl}piperazin-2-oneChEBI
nutlin 3ChEBI
Registry NumbersSources
Beilstein:10243211Beilstein
CAS:548472-68-0ChemIDplus