CHEBI:100822 - LSM-12196

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ChEBI Name LSM-12196
ChEBI ID CHEBI:100822
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H25N3O6S
Net Charge 0
Average Mass 495.550
Monoisotopic Mass 495.14641
InChI InChI=1S/C25H25N3O6S/c1-15-6-3-4-8-21(15)35(32,33)28-20-13-27-19(23(28)22(18(20)14-29)25(31)34-2)10-9-17(24(27)30)16-7-5-11-26-12-16/h3-12,18,20,22-23,29H,13-14H2,1-2H3/t18-,20-,22+,23+/m1/s1
InChIKey IMWJJLFBFPCGES-SQMBMXPBSA-N
SMILES CC1=CC=CC=C1S(=O)(=O)N2[C@@H]3CN4C(=CC=C(C4=O)C5=CN=CC=C5)[C@H]2[C@H]([C@@H]3CO)C(=O)OC
ChEBI Ontology
Outgoing LSM-12196 (CHEBI:100822) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-12196 LINCS
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