CHEBI:102282 - LSM-13635

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ChEBI Name LSM-13635
ChEBI ID CHEBI:102282
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C30H35N3O5S2
Net Charge 0
Average Mass 581.749
Monoisotopic Mass 581.20181
InChI InChI=1S/C30H35N3O5S2/c1-20-16-33(21(2)18-34)30(35)29-28(24-12-7-8-13-25(24)32(29)4)23-11-6-5-10-22(23)19-38-26(20)17-31(3)40(36,37)27-14-9-15-39-27/h5-15,20-21,26,34H,16-19H2,1-4H3/t20-,21-,26-/m0/s1
InChIKey OMNPDJXLWRDGEE-WOVHNISZSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=CS4)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-13635 (CHEBI:102282) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13635 LINCS
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