CHEBI:103268 - LSM-14612

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-14612
ChEBI ID CHEBI:103268
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H24F2N4O3S
Net Charge 0
Average Mass 498.547
Monoisotopic Mass 498.15372
InChI InChI=1S/C25H24F2N4O3S/c1-2-3-14-4-7-20-21-17(12-30(20)24(14)34)18(13-32)22(23(33)29-25-28-8-9-35-25)31(21)11-15-10-16(26)5-6-19(15)27/h2-10,17-18,21-22,32H,11-13H2,1H3,(H,28,29,33)/t17-,18-,21+,22-/m0/s1
InChIKey ZDIAMMWGBAVDPO-HXHBTQRASA-N
SMILES CC=CC1=CC=C2[C@H]3[C@@H](CN2C1=O)[C@@H]([C@H](N3CC4=C(C=CC(=C4)F)F)C(=O)NC5=NC=CS5)CO
ChEBI Ontology
Outgoing LSM-14612 (CHEBI:103268) is a amino acid amide (CHEBI:22475)
Manual Xref Database
LSM-14612 LINCS
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