CHEBI:102361 - LSM-13713

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ChEBI Name LSM-13713
ChEBI ID CHEBI:102361
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H33N3O4
Net Charge 0
Average Mass 463.570
Monoisotopic Mass 463.24711
InChI InChI=1S/C27H33N3O4/c1-28(2)27(33)24-20(16-31)22-15-30-21(13-12-19(26(30)32)17-8-4-5-9-17)25(24)29(22)14-18-10-6-7-11-23(18)34-3/h6-8,10-13,20,22,24-25,31H,4-5,9,14-16H2,1-3H3/t20-,22-,24+,25+/m1/s1
InChIKey CAYQEZITEZQLOQ-KAKDDGLXSA-N
SMILES CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CCCC4)[C@@H]1N2CC5=CC=CC=C5OC)CO
ChEBI Ontology
Outgoing LSM-13713 (CHEBI:102361) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-13713 LINCS
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