CHEBI:102542 - LSM-13889

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ChEBI Name LSM-13889
ChEBI ID CHEBI:102542
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H19N3O2
Net Charge 0
Average Mass 333.385
Monoisotopic Mass 333.14773
InChI InChI=1S/C20H19N3O2/c1-2-4-14-6-8-15(9-7-14)19-17(11-21)23(18(19)13-24)20(25)16-5-3-10-22-12-16/h2-10,12,17-19,24H,13H2,1H3/t17-,18-,19+/m0/s1
InChIKey SONVGTXFTWWDQR-GBESFXJTSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@@H](N([C@H]2C#N)C(=O)C3=CN=CC=C3)CO
ChEBI Ontology
Outgoing LSM-13889 (CHEBI:102542) is a azetidines (CHEBI:38777)
LSM-13889 (CHEBI:102542) is a benzenes (CHEBI:22712)
LSM-13889 (CHEBI:102542) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13889 LINCS
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