CHEBI:105463 - LSM-16826

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-16826
ChEBI ID CHEBI:105463
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H24N6O2
Net Charge 0
Average Mass 512.562
Monoisotopic Mass 512.19607
InChI InChI=1S/C31H24N6O2/c1-19-27-28(20-16-17-25(38)26(39)18-20)36-24-15-9-8-14-23(24)33-29(32-21-10-4-2-5-11-21)31(36)34-30(27)37(35-19)22-12-6-3-7-13-22/h2-18,28,38-39H,1H3,(H,32,33)
InChIKey NWCSVPLYCSMGDA-UHFFFAOYSA-N
SMILES CC1=NN(C2=C1C(N3C4=CC=CC=C4N=C(C3=N2)NC5=CC=CC=C5)C6=CC(=C(C=C6)O)O)C7=CC=CC=C7
ChEBI Ontology
Outgoing LSM-16826 (CHEBI:105463) is a pyrazoles (CHEBI:26410)
LSM-16826 (CHEBI:105463) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-16826 LINCS
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