CHEBI:102598 - LSM-13945

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ChEBI Name LSM-13945
ChEBI ID CHEBI:102598
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H26ClN3O4
Net Charge 0
Average Mass 443.924
Monoisotopic Mass 443.16118
InChI InChI=1S/C23H26ClN3O4/c24-16-4-1-3-15(11-16)12-27-19-13-26-18(5-2-6-20(26)29)22(27)21(17(19)14-28)23(30)25-7-9-31-10-8-25/h1-6,11,17,19,21-22,28H,7-10,12-14H2/t17-,19-,21+,22+/m0/s1
InChIKey JHNJYMNWNCZPKL-HVJHZFLKSA-N
SMILES C1COCCN1C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=CC(=CC=C5)Cl)CO
ChEBI Ontology
Outgoing LSM-13945 (CHEBI:102598) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13945 LINCS
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