CHEBI:98634 - LSM-10013

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ChEBI Name LSM-10013
ChEBI ID CHEBI:98634
Stars This entity has been manually annotated by a third party.
Supplier Information ZINC000095734500
Download Molfile XML SDF
Formula C21H21N3O5
Net Charge 0
Average Mass 395.409
Monoisotopic Mass 395.14812
InChI InChI=1S/C21H21N3O5/c25-10-14-16-9-23-15(4-3-13(20(23)27)11-5-7-22-8-6-11)18(17(14)21(28)29)24(16)19(26)12-1-2-12/h3-8,12,14,16-18,25H,1-2,9-10H2,(H,28,29)/t14-,16-,17+,18+/m0/s1
InChIKey YHZGHLFVBXATHQ-DZJNRPSUSA-N
SMILES C1CC1C(=O)N2[C@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@@H]2[C@@H]([C@H]3CO)C(=O)O
ChEBI Ontology
Outgoing LSM-10013 (CHEBI:98634) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-10013 LINCS
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