CHEBI:101433 - LSM-12796

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ChEBI Name LSM-12796
ChEBI ID CHEBI:101433
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H37N3O4S
Net Charge 0
Average Mass 547.710
Monoisotopic Mass 547.25048
InChI InChI=1S/C31H37N3O4S/c1-6-9-21-10-7-12-23(16-21)29-28-24(20-34(27(28)14-15-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-8-13-25(17-22)38-5/h6-13,16-18,27,35H,14-15,19-20H2,1-5H3,(H,32,36)/t27-,39-/m0/s1
InChIKey NHZALIQGAPONCQ-XGFTYPEHSA-N
SMILES CC=CC1=CC=CC(=C1)C2=C3[C@@H](N(CC3=CC(=N2)C(=O)NCC4=CC(=CC=C4)OC)[S@@](=O)C(C)(C)C)CCO
ChEBI Ontology
Outgoing LSM-12796 (CHEBI:101433) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12796 LINCS
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