CHEBI:194554 - MAITHREYEE_S_C1

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name MAITHREYEE_S_C1
ChEBI ID CHEBI:194554
Definition Insilico novel compound for Colorectal Cancer
Stars This entity has been manually annotated by a third party.
Submitter Balaji
Supplier Information
Download Molfile XML SDF
Formula C21H19F2N5O5.Li.Na
Net Charge +2
Average Mass 489.340
Monoisotopic Mass 489.14010
InChI InChI=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
InChIKey UGTSXZLLWVMRJX-UHFFFAOYSA-N
SMILES C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)OC5=C(C(=O)NC(=O)N5)F.[Na+].[Li+]
ChEBI Ontology
Outgoing MAITHREYEE_S_C1 (CHEBI:194554) is a piperazines (CHEBI:26144)
Brand Name Source
MAITHREYEE_S_2023 SUBMITTER
Last Modified
17 April 2023