CHEBI:101071 - LSM-12443

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ChEBI Name LSM-12443
ChEBI ID CHEBI:101071
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H29N3O4
Net Charge 0
Average Mass 435.516
Monoisotopic Mass 435.21581
InChI InChI=1S/C25H29N3O4/c1-26(2)25(32)21-18(14-29)20-13-27-19(22(21)28(20)23(30)16-9-6-10-16)12-11-17(24(27)31)15-7-4-3-5-8-15/h3-5,7-8,11-12,16,18,20-22,29H,6,9-10,13-14H2,1-2H3/t18-,20-,21+,22+/m1/s1
InChIKey MBRBGBQUUNVPJA-YJMBLLCNSA-N
SMILES CN(C)C(=O)[C@H]1[C@@H]([C@H]2CN3C(=CC=C(C3=O)C4=CC=CC=C4)[C@@H]1N2C(=O)C5CCC5)CO
ChEBI Ontology
Outgoing LSM-12443 (CHEBI:101071) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12443 LINCS
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