CHEBI:101220 - LSM-12589

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ChEBI Name LSM-12589
ChEBI ID CHEBI:101220
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H25F2N3O3
Net Charge 0
Average Mass 429.461
Monoisotopic Mass 429.18640
InChI InChI=1S/C23H25F2N3O3/c24-14-7-8-17(25)13(9-14)10-28-19-11-27-18(5-2-6-20(27)30)22(28)21(16(19)12-29)23(31)26-15-3-1-4-15/h2,5-9,15-16,19,21-22,29H,1,3-4,10-12H2,(H,26,31)/t16-,19-,21+,22+/m0/s1
InChIKey GICHBVCHVQBVRX-NTSGDEEZSA-N
SMILES C1CC(C1)NC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=C(C=CC(=C5)F)F)CO
ChEBI Ontology
Outgoing LSM-12589 (CHEBI:101220) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-12589 LINCS
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