CHEBI:99789 - LSM-11168

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11168
ChEBI ID CHEBI:99789
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H25N3O3
Net Charge 0
Average Mass 355.432
Monoisotopic Mass 355.18959
InChI InChI=1S/C20H25N3O3/c1-2-3-15-4-6-16(7-5-15)20-17(12-21)23(18(20)14-24)19(25)13-22-8-10-26-11-9-22/h2-7,17-18,20,24H,8-11,13-14H2,1H3/t17-,18+,20-/m0/s1
InChIKey KJLVFPZXKUGLPF-NSHGMRRFSA-N
SMILES CC=CC1=CC=C(C=C1)[C@@H]2[C@H](N([C@H]2C#N)C(=O)CN3CCOCC3)CO
ChEBI Ontology
Outgoing LSM-11168 (CHEBI:99789) is a azetidines (CHEBI:38777)
LSM-11168 (CHEBI:99789) is a benzenes (CHEBI:22712)
LSM-11168 (CHEBI:99789) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-11168 LINCS
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