CHEBI:100085 - LSM-11464

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-11464
ChEBI ID CHEBI:100085
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)27-14-7-6-13-26(27)25-12-5-4-9-22(25)19-41-28(20)17-36(3)30(40)35-24-11-8-10-23(15-24)31(32,33)34/h4-15,20-21,28,38H,16-19H2,1-3H3,(H,35,40)/t20-,21-,28-/m1/s1
InChIKey HSJIFMVKIOATEF-UMQWNRPGSA-N
SMILES C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-11464 (CHEBI:100085) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-11464 LINCS
View more database links