CHEBI:100801 - LSM-12175

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ChEBI Name LSM-12175
ChEBI ID CHEBI:100801
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H36FN3O5S
Net Charge 0
Average Mass 593.711
Monoisotopic Mass 593.23597
InChI InChI=1S/C32H36FN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(25-13-7-9-15-27(25)35(31)4)24-12-6-5-11-23(24)20-41-28(21)18-34(3)42(39,40)29-16-10-8-14-26(29)33/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22-,28+/m1/s1
InChIKey PCQGWFREXHAZIT-XJGOYTCSSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CC=C4F)C5=CC=CC=C5N2C)[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-12175 (CHEBI:100801) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-12175 LINCS
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