CHEBI:98095 - LSM-9474

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ChEBI Name LSM-9474
ChEBI ID CHEBI:98095
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H38N4O5
Net Charge 0
Average Mass 558.669
Monoisotopic Mass 558.28422
InChI InChI=1S/C32H38N4O5/c1-19-15-36(20(2)17-37)32(39)30-29(25-13-9-10-14-26(25)35(30)6)24-12-8-7-11-23(24)18-40-27(19)16-34(5)31(38)28-21(3)33-41-22(28)4/h7-14,19-20,27,37H,15-18H2,1-6H3/t19-,20-,27-/m0/s1
InChIKey LBGXIXNVJUEMSO-OSOCVKALSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)C4=C(ON=C4C)C)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-9474 (CHEBI:98095) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-9474 LINCS
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