CHEBI:97078 - LSM-8457

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-8457
ChEBI ID CHEBI:97078
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H35N3O3S
Net Charge 0
Average Mass 517.684
Monoisotopic Mass 517.23991
InChI InChI=1S/C30H35N3O3S/c1-5-10-21-13-9-14-23(17-21)28-27-24(20-33(26(27)15-16-34)37(36)30(2,3)4)18-25(32-28)29(35)31-19-22-11-7-6-8-12-22/h5-14,17-18,26,34H,15-16,19-20H2,1-4H3,(H,31,35)/t26-,37-/m1/s1
InChIKey RNIGAGNWOYTJAX-NGXVIIRPSA-N
SMILES CC=CC1=CC=CC(=C1)C2=C3[C@H](N(CC3=CC(=N2)C(=O)NCC4=CC=CC=C4)[S@](=O)C(C)(C)C)CCO
ChEBI Ontology
Outgoing LSM-8457 (CHEBI:97078) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-8457 LINCS
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