CHEBI:125045 - LSM-36507

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-36507
ChEBI ID CHEBI:125045
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H22F3N3O
Net Charge 0
Average Mass 401.426
Monoisotopic Mass 401.17150
InChI InChI=1S/C22H22F3N3O/c1-2-3-14-4-6-15(7-5-14)20-18-12-28(13-19(20)27-18)21(29)26-17-10-8-16(9-11-17)22(23,24)25/h2-11,18-20,27H,12-13H2,1H3,(H,26,29)/t18-,19+,20?
InChIKey OLWBUYWDQCJCAM-YOFSQIOKSA-N
SMILES CC=CC1=CC=C(C=C1)C2[C@H]3CN(C[C@@H]2N3)C(=O)NC4=CC=C(C=C4)C(F)(F)F
ChEBI Ontology
Outgoing LSM-36507 (CHEBI:125045) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-36507 LINCS
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