CHEBI:130630 - LSM-42179

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-42179
ChEBI ID CHEBI:130630
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H26F3N3O2
Net Charge 0
Average Mass 445.478
Monoisotopic Mass 445.19771
InChI InChI=1S/C24H26F3N3O2/c1-2-5-17-7-9-18(10-8-17)21-20(14-31)30(22(32)19-6-3-4-12-28-19)23(21)15-29(16-23)13-11-24(25,26)27/h2-10,12,20-21,31H,11,13-16H2,1H3/t20-,21+/m1/s1
InChIKey CJVCPBULMXGFOT-RTWAWAEBSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)CCC(F)(F)F)C(=O)C4=CC=CC=N4)CO
ChEBI Ontology
Outgoing LSM-42179 (CHEBI:130630) is a azetidines (CHEBI:38777)
LSM-42179 (CHEBI:130630) is a benzenes (CHEBI:22712)
LSM-42179 (CHEBI:130630) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42179 LINCS
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