CHEBI:100948 - LSM-12321

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ChEBI Name LSM-12321
ChEBI ID CHEBI:100948
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H26F3N3O3
Net Charge 0
Average Mass 449.467
Monoisotopic Mass 449.19263
InChI InChI=1S/C23H26F3N3O3/c1-14(15-6-3-2-4-7-15)27-22(32)20-16(13-30)18-12-29-17(8-5-9-19(29)31)21(20)28(18)11-10-23(24,25)26/h2-9,14,16,18,20-21,30H,10-13H2,1H3,(H,27,32)/t14-,16-,18-,20+,21+/m0/s1
InChIKey LOVSINJIWNBKBE-NNPDCFOJSA-N
SMILES C[C@@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CCC(F)(F)F)CO
ChEBI Ontology
Outgoing LSM-12321 (CHEBI:100948) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-12321 LINCS
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