CHEBI:101541 - LSM-12904

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ChEBI Name LSM-12904
ChEBI ID CHEBI:101541
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H37N3O4S
Net Charge 0
Average Mass 547.710
Monoisotopic Mass 547.25048
InChI InChI=1S/C31H37N3O4S/c1-6-8-21-9-7-10-23(17-21)29-28-24(20-34(27(28)15-16-35)39(37)31(2,3)4)18-26(33-29)30(36)32-19-22-11-13-25(38-5)14-12-22/h6-14,17-18,27,35H,15-16,19-20H2,1-5H3,(H,32,36)/t27-,39-/m1/s1
InChIKey CHUUKIFYUQSEQP-GAZSAWIUSA-N
SMILES CC=CC1=CC=CC(=C1)C2=C3[C@H](N(CC3=CC(=N2)C(=O)NCC4=CC=C(C=C4)OC)[S@](=O)C(C)(C)C)CCO
ChEBI Ontology
Outgoing LSM-12904 (CHEBI:101541) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12904 LINCS
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