CHEBI:101162 - LSM-12531

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12531
ChEBI ID CHEBI:101162
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C29H33N3O4
Net Charge 0
Average Mass 487.591
Monoisotopic Mass 487.24711
InChI InChI=1S/C29H33N3O4/c1-20-16-32(21(2)18-33)29(35)26-11-7-6-10-25(26)24-9-5-4-8-23(24)19-36-27(20)17-31(3)28(34)22-12-14-30-15-13-22/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21+,27+/m0/s1
InChIKey VHVNEVJWYRMESY-FYQCMVGJSA-N
SMILES C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing LSM-12531 (CHEBI:101162) is a pyridinecarboxamide (CHEBI:25529)
Manual Xref Database
LSM-12531 LINCS
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