CHEBI:100893 - LSM-12267

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12267
ChEBI ID CHEBI:100893
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H25FN4O3
Net Charge 0
Average Mass 448.490
Monoisotopic Mass 448.19107
InChI InChI=1S/C25H25FN4O3/c26-17-3-1-16(2-4-17)18-5-6-21-23-22(19(14-31)20(29-23)13-30(21)25(18)33)24(32)28-12-9-15-7-10-27-11-8-15/h1-8,10-11,19-20,22-23,29,31H,9,12-14H2,(H,28,32)/t19-,20-,22+,23+/m1/s1
InChIKey FVDKOQJIZWFRLQ-SCPDWHHUSA-N
SMILES C1[C@@H]2[C@H]([C@@H]([C@@H](N2)C3=CC=C(C(=O)N31)C4=CC=C(C=C4)F)C(=O)NCCC5=CC=NC=C5)CO
ChEBI Ontology
Outgoing LSM-12267 (CHEBI:100893) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-12267 LINCS
View more database links