CHEBI:100979 - LSM-12352

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ChEBI Name LSM-12352
ChEBI ID CHEBI:100979
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H30N4O4
Net Charge 0
Average Mass 450.531
Monoisotopic Mass 450.22671
InChI InChI=1S/C25H30N4O4/c1-28(2)24(32)15-6-3-5-14(11-15)17-9-10-20-22-21(23(31)26-16-7-4-8-16)18(13-30)19(27-22)12-29(20)25(17)33/h3,5-6,9-11,16,18-19,21-22,27,30H,4,7-8,12-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22+/m1/s1
InChIKey NFKFSUDWHJDXEV-WKDRNLAYSA-N
SMILES CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@H]([C@@H]([C@H](N4)CN3C2=O)CO)C(=O)NC5CCC5
ChEBI Ontology
Outgoing LSM-12352 (CHEBI:100979) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12352 LINCS
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