CHEBI:100381 - LSM-11756

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ChEBI Name LSM-11756
ChEBI ID CHEBI:100381
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H36N4O4
Net Charge 0
Average Mass 540.654
Monoisotopic Mass 540.27366
InChI InChI=1S/C32H36N4O4/c1-21-17-36(22(2)19-37)32(39)30-29(26-11-7-8-12-27(26)35(30)4)25-10-6-5-9-24(25)20-40-28(21)18-34(3)31(38)23-13-15-33-16-14-23/h5-16,21-22,28,37H,17-20H2,1-4H3/t21-,22+,28+/m0/s1
InChIKey BXWHKXPVJGEBOL-PFPZSTESSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)C4=CC=NC=C4)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-11756 (CHEBI:100381) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-11756 LINCS
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