CHEBI:102697 - LSM-14044

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ChEBI Name LSM-14044
ChEBI ID CHEBI:102697
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(27-14-8-9-15-28(27)36(32)4)26-13-7-5-12-25(26)21-42-29(22)19-35(3)43(40,41)30-16-10-6-11-24(30)17-34/h5-16,22-23,29,38H,18-21H2,1-4H3/t22-,23-,29-/m1/s1
InChIKey VOTKEIORIBNPMA-VDWGHMIBSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4C#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-14044 (CHEBI:102697) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-14044 LINCS
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