CHEBI:102417 - LSM-13768

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ChEBI Name LSM-13768
ChEBI ID CHEBI:102417
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H34F3N3O5S
Net Charge 0
Average Mass 581.649
Monoisotopic Mass 581.21713
InChI InChI=1S/C28H34F3N3O5S/c1-18-13-34(19(2)15-35)27(36)26-25(22-11-7-8-12-23(22)33(26)4)21-10-6-5-9-20(21)16-39-24(18)14-32(3)40(37,38)17-28(29,30)31/h5-12,18-19,24,35H,13-17H2,1-4H3/t18-,19+,24+/m0/s1
InChIKey BZAPUCLBFKATKI-XLNZFTOWSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)CC(F)(F)F)C4=CC=CC=C4N2C)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing LSM-13768 (CHEBI:102417) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13768 LINCS
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