CHEBI:129276 - LSM-40827

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ChEBI Name LSM-40827
ChEBI ID CHEBI:129276
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H31N3O
Net Charge 0
Average Mass 365.513
Monoisotopic Mass 365.24671
InChI InChI=1S/C23H31N3O/c1-4-6-18-8-10-20(11-9-18)23-21(14-25-17(2)3)26(22(23)16-27)15-19-7-5-12-24-13-19/h4-13,17,21-23,25,27H,14-16H2,1-3H3/t21-,22+,23+/m1/s1
InChIKey DCEGAELPEOMMPR-VJBWXMMDSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2CO)CC3=CN=CC=C3)CNC(C)C
ChEBI Ontology
Outgoing LSM-40827 (CHEBI:129276) is a azetidines (CHEBI:38777)
LSM-40827 (CHEBI:129276) is a benzenes (CHEBI:22712)
LSM-40827 (CHEBI:129276) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-40827 LINCS
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