CHEBI:130753 - LSM-42302

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-42302
ChEBI ID CHEBI:130753
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H31N3O2
Net Charge 0
Average Mass 405.533
Monoisotopic Mass 405.24163
InChI InChI=1S/C25H31N3O2/c1-2-6-19-8-10-21(11-9-19)25-22-17-27(13-3-4-14-28(22)23(25)18-29)24(30)15-20-7-5-12-26-16-20/h2,5-12,16,22-23,25,29H,3-4,13-15,17-18H2,1H3/t22-,23+,25-/m0/s1
InChIKey GUCNCJYSBNWKMH-ARNLJNQMSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)C(=O)CC4=CN=CC=C4
ChEBI Ontology
Outgoing LSM-42302 (CHEBI:130753) is a azetidines (CHEBI:38777)
LSM-42302 (CHEBI:130753) is a benzenes (CHEBI:22712)
LSM-42302 (CHEBI:130753) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-42302 LINCS
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