CHEBI:100007 - LSM-11386

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ChEBI Name LSM-11386
ChEBI ID CHEBI:100007
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H36N4O5S
Net Charge 0
Average Mass 600.730
Monoisotopic Mass 600.24064
InChI InChI=1S/C33H36N4O5S/c1-22-18-37(23(2)20-38)33(39)32-31(28-14-7-8-15-29(28)36(32)4)27-13-6-5-11-25(27)21-42-30(22)19-35(3)43(40,41)26-12-9-10-24(16-26)17-34/h5-16,22-23,30,38H,18-21H2,1-4H3/t22-,23-,30-/m1/s1
InChIKey DEQYHGFYIZKXEQ-IQLGONJTSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC(=C4)C#N)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-11386 (CHEBI:100007) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-11386 LINCS
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