CHEBI:98612 - LSM-9991

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-9991
ChEBI ID CHEBI:98612
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H21F2N5O4
Net Charge 0
Average Mass 481.452
Monoisotopic Mass 481.15616
InChI InChI=1S/C24H21F2N5O4/c25-14-6-13(7-15(26)8-14)9-29-23(34)21-16(12-32)19-11-30-18(2-1-3-20(30)33)22(21)31(19)24(35)17-10-27-4-5-28-17/h1-8,10,16,19,21-22,32H,9,11-12H2,(H,29,34)/t16-,19-,21+,22+/m0/s1
InChIKey KPHBLEYIQPKXAE-NTSGDEEZSA-N
SMILES C1[C@H]2[C@@H]([C@H]([C@H](N2C(=O)C3=NC=CN=C3)C4=CC=CC(=O)N41)C(=O)NCC5=CC(=CC(=C5)F)F)CO
ChEBI Ontology
Outgoing LSM-9991 (CHEBI:98612) is a pyrazines (CHEBI:38314)
LSM-9991 (CHEBI:98612) is a secondary carboxamide (CHEBI:140325)
LSM-9991 (CHEBI:98612) is a tertiary carboxamide (CHEBI:140326)
Manual Xref Database
LSM-9991 LINCS
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Last Modified
07 March 2018