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CHEBI:194554 - MAITHREYEE_S_C1

ChEBI IDCHEBI:194554
ChEBI NameMAITHREYEE_S_C1
Stars
DefinitionInsilico novel compound for Colorectal Cancer
Last Modified17 April 2023
SubmitterBalaji
DownloadsMolfile
FormulaC21H19F2N5O5.Li.Na
Net Charge+2
Average Mass489.340
Monoisotopic Mass489.14010
SMILESO=C(Oc1nc(=O)nc(=O)c1F)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O.[Li+].[Na+]
InChIInChI=1S/C21H19F2N5O5.Li.Na/c22-13-7-11-14(8-15(13)27-5-3-24-4-6-27)28(10-1-2-10)9-12(17(11)29)20(31)33-19-16(23)18(30)25-21(32)26-19;;/h7-10,24H,1-6H2,(H2,25,26,30,32);;/q;2*+1
InChIKeyUGTSXZLLWVMRJX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
MAITHREYEE_S_C1 (CHEBI:194554) is a piperazines (CHEBI:26144)
Brand Name  Source
MAITHREYEE_S_2023SUBMITTER