CHEBI:110112 - LSM-21539

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-21539
ChEBI ID CHEBI:110112
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H32N4O4
Net Charge 0
Average Mass 452.547
Monoisotopic Mass 452.24236
InChI InChI=1S/C25H32N4O4/c1-5-8-19-11-21-24(27-13-19)33-22(17(2)14-29(25(21)32)18(3)16-30)15-28(4)23(31)12-20-9-6-7-10-26-20/h5-11,13,17-18,22,30H,12,14-16H2,1-4H3/t17-,18+,22+/m1/s1
InChIKey QZTHWNUUUJWOTB-FGSXEWAUSA-N
SMILES CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@@H](O2)CN(C)C(=O)CC3=CC=CC=N3)C)[C@@H](C)CO
ChEBI Ontology
Outgoing LSM-21539 (CHEBI:110112) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-21539 LINCS
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