CHEBI:119220 - LSM-30669

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ChEBI Name LSM-30669
ChEBI ID CHEBI:119220
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H36ClN3O5S
Net Charge 0
Average Mass 610.166
Monoisotopic Mass 609.20642
InChI InChI=1S/C32H36ClN3O5S/c1-21-17-36(22(2)19-37)32(38)31-30(27-11-7-8-12-28(27)35(31)4)26-10-6-5-9-23(26)20-41-29(21)18-34(3)42(39,40)25-15-13-24(33)14-16-25/h5-16,21-22,29,37H,17-20H2,1-4H3/t21-,22+,29+/m0/s1
InChIKey VJARKWPJXPJMID-DKGMKSHISA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)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-30669 (CHEBI:119220) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-30669 LINCS
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