CHEBI:101033 - LSM-12406

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ChEBI Name LSM-12406
ChEBI ID CHEBI:101033
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H32N2O5S2
Net Charge 0
Average Mass 528.687
Monoisotopic Mass 528.17526
InChI InChI=1S/C27H32N2O5S2/c1-19-14-29(20(2)16-30)27(31)25-11-7-6-10-24(25)23-9-5-4-8-21(23)17-34-26(19)15-28(3)36(32,33)22-12-13-35-18-22/h4-13,18-20,26,30H,14-17H2,1-3H3/t19-,20+,26-/m0/s1
InChIKey ROXJHZXKWGUYER-UNVFRBQDSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CSC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12406 (CHEBI:101033) is a benzenoid aromatic compound (CHEBI:33836)
Manual Xref Database
LSM-12406 LINCS
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