CHEBI:101291 - LSM-12657

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ChEBI Name LSM-12657
ChEBI ID CHEBI:101291
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H27N5O3S
Net Charge 0
Average Mass 477.581
Monoisotopic Mass 477.18346
InChI InChI=1S/C25H27N5O3S/c31-14-18-20-12-30-19(4-3-17(25(30)33)16-5-7-26-8-6-16)23(29(20)13-21-27-9-10-34-21)22(18)24(32)28-11-15-1-2-15/h3-10,15,18,20,22-23,31H,1-2,11-14H2,(H,28,32)/t18-,20-,22+,23+/m0/s1
InChIKey HSQWCVQVATZDQW-NEKRIBJYSA-N
SMILES C1CC1CNC(=O)[C@@H]2[C@H]([C@@H]3CN4C(=CC=C(C4=O)C5=CC=NC=C5)[C@H]2N3CC6=NC=CS6)CO
ChEBI Ontology
Outgoing LSM-12657 (CHEBI:101291) is a bipyridines (CHEBI:50511)
Manual Xref Database
LSM-12657 LINCS
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