CHEBI:130402 - LSM-41951

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-41951
ChEBI ID CHEBI:130402
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H27N3O3
Net Charge 0
Average Mass 393.480
Monoisotopic Mass 393.20524
InChI InChI=1S/C23H27N3O3/c1-4-7-17-9-11-18(12-10-17)22-20(26(16(2)28)21(22)15-27)14-25(3)23(29)19-8-5-6-13-24-19/h4-13,20-22,27H,14-15H2,1-3H3/t20-,21-,22+/m1/s1
InChIKey WPXBDGFNEBLHLG-VSKRKVRLSA-N
SMILES CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2CO)C(=O)C)CN(C)C(=O)C3=CC=CC=N3
ChEBI Ontology
Outgoing LSM-41951 (CHEBI:130402) is a azetidines (CHEBI:38777)
LSM-41951 (CHEBI:130402) is a benzenes (CHEBI:22712)
LSM-41951 (CHEBI:130402) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41951 LINCS
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