CHEBI:100820 - LSM-12194

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name LSM-12194
ChEBI ID CHEBI:100820
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26N4O4
Net Charge 0
Average Mass 398.456
Monoisotopic Mass 398.19541
InChI InChI=1S/C21H26N4O4/c26-11-15-17-10-24-16(5-4-6-18(24)27)20(25(17)9-14-12-29-13-22-14)19(15)21(28)23-7-2-1-3-8-23/h4-6,12-13,15,17,19-20,26H,1-3,7-11H2/t15-,17-,19+,20+/m0/s1
InChIKey PJVBFVCJEZYLHS-SMMRIJLZSA-N
SMILES C1CCN(CC1)C(=O)[C@@H]2[C@H]([C@@H]3CN4C(=O)C=CC=C4[C@H]2N3CC5=COC=N5)CO
ChEBI Ontology
Outgoing LSM-12194 (CHEBI:100820) is a N-acylpiperidine (CHEBI:48591)
Manual Xref Database
LSM-12194 LINCS
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