CHEBI:101809 - LSM-13171

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-13171
ChEBI ID CHEBI:101809
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H34F3N3O4
Net Charge 0
Average Mass 569.616
Monoisotopic Mass 569.25014
InChI InChI=1S/C31H34F3N3O4/c1-20-16-37(21(2)18-38)29(39)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-41-28(20)17-36(3)30(40)35-27-15-9-8-14-26(27)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21+,28-/m0/s1
InChIKey AAENOGRDWGDRJO-GTNJKRJXSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC=C4C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-13171 (CHEBI:101809) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-13171 LINCS
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