CHEBI:46742 - Nutlin-3

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ChEBI Name Nutlin-3
ChEBI ID CHEBI:46742
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H30Cl2N4O4
Net Charge 0
Average Mass 581.48916
Monoisotopic Mass 580.16441
InChI InChI=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
InChIKey BDUHCSBCVGXTJM-IZLXSDGUSA-N
SMILES COc1ccc(c(OC(C)C)c1)C1=N[C@@H]([C@@H](N1C(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
(via Nutlin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
cis-4-{[4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]carbonyl}piperazin-2-one ChEBI
nutlin 3 ChEBI
Registry Numbers Types Sources
10243211 Beilstein Registry Number Beilstein
548472-68-0 CAS Registry Number ChemIDplus
Last Modified
23 April 2020
General Comment
2007-10-01 Relative stereochemistry. The structure, SMILES and InChI shown are those for the isomer with 4R,5S absolute stereochemistry.