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CHEBI:757921 - ml-246

Default Structure
ChEBI IDCHEBI:757921
ChEBI Nameml-246
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC31H30N4O
Net Charge0
Average Mass474.608
Monoisotopic Mass474.24196
SMILESN=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1[C@H]1CC[C@H](O)CC1
InChIInChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2/t25-,26-
InChIKeyWSMXAUJFLWRPNT-DIVCQZSQSA-N
ChEBI Ontology
Outgoing Relation(s)
ml-246 (CHEBI:757921) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
MetarrestinChEMBL
ML-246ChEMBL
Citations