CHEBI:129728 - LSM-41279

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-41279
ChEBI ID CHEBI:129728
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H33N3O2
Net Charge 0
Average Mass 407.549
Monoisotopic Mass 407.25728
InChI InChI=1S/C25H33N3O2/c1-4-9-19-11-13-20(14-12-19)24-22(28(16-5-2)23(24)18-29)17-27(6-3)25(30)21-10-7-8-15-26-21/h4,7-15,22-24,29H,5-6,16-18H2,1-3H3/t22-,23-,24-/m1/s1
InChIKey ZDDUBPABKWWDDN-WXFUMESZSA-N
SMILES CCCN1[C@@H]([C@H]([C@H]1CO)C2=CC=C(C=C2)C=CC)CN(CC)C(=O)C3=CC=CC=N3
ChEBI Ontology
Outgoing LSM-41279 (CHEBI:129728) is a azetidines (CHEBI:38777)
LSM-41279 (CHEBI:129728) is a benzenes (CHEBI:22712)
LSM-41279 (CHEBI:129728) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41279 LINCS
View more database links