CHEBI:101654 - LSM-13017

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13017
ChEBI ID CHEBI:101654
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H23F3N4O4
Net Charge 0
Average Mass 416.396
Monoisotopic Mass 416.16714
InChI InChI=1S/C18H23F3N4O4/c1-2-6-22-17(29)25-12-7-24-11(4-3-5-13(24)27)15(25)14(10(12)8-26)16(28)23-9-18(19,20)21/h3-5,10,12,14-15,26H,2,6-9H2,1H3,(H,22,29)(H,23,28)/t10-,12-,14+,15+/m0/s1
InChIKey YCXHAHZKXMJVEB-OBCWZRDOSA-N
SMILES CCCNC(=O)N1[C@H]2CN3C(=O)C=CC=C3[C@@H]1[C@@H]([C@H]2CO)C(=O)NCC(F)(F)F
ChEBI Ontology
Outgoing LSM-13017 (CHEBI:101654) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13017 LINCS
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