CHEBI:127970 - LSM-39526

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-39526
ChEBI ID CHEBI:127970
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H30FN3O2
Net Charge 0
Average Mass 423.524
Monoisotopic Mass 423.23221
InChI InChI=1S/C25H30FN3O2/c1-2-5-18-6-8-19(9-7-18)24-22-16-28(14-3-4-15-29(22)23(24)17-30)25(31)27-21-12-10-20(26)11-13-21/h2,5-13,22-24,30H,3-4,14-17H2,1H3,(H,27,31)/t22-,23-,24-/m1/s1
InChIKey XNACUZIZQDXWGE-WXFUMESZSA-N
SMILES CC=CC1=CC=C(C=C1)[C@@H]2[C@H]3CN(CCCCN3[C@@H]2CO)C(=O)NC4=CC=C(C=C4)F
ChEBI Ontology
Outgoing LSM-39526 (CHEBI:127970) is a azetidines (CHEBI:38777)
LSM-39526 (CHEBI:127970) is a benzenes (CHEBI:22712)
LSM-39526 (CHEBI:127970) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-39526 LINCS
View more database links