CHEBI:125910 - LSM-37477

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-37477
ChEBI ID CHEBI:125910
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H27F3N2O3
Net Charge 0
Average Mass 412.447
Monoisotopic Mass 412.19738
InChI InChI=1S/C21H27F3N2O3/c1-3-4-15-5-7-16(8-6-15)19-17(11-27)26(10-9-21(22,23)24)20(19)13-25(14-20)18(28)12-29-2/h3-8,17,19,27H,9-14H2,1-2H3/t17-,19+/m1/s1
InChIKey WAHADWBAURCFAY-MJGOQNOKSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)COC)CCC(F)(F)F)CO
ChEBI Ontology
Outgoing LSM-37477 (CHEBI:125910) is a azetidines (CHEBI:38777)
LSM-37477 (CHEBI:125910) is a benzenes (CHEBI:22712)
LSM-37477 (CHEBI:125910) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-37477 LINCS
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