CHEBI:102600 - LSM-13947

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ChEBI Name LSM-13947
ChEBI ID CHEBI:102600
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C30H36F3N3O4
Net Charge 0
Average Mass 559.621
Monoisotopic Mass 559.26579
InChI InChI=1S/C30H36F3N3O4/c1-19-15-36(20(2)17-37)29(39)28-27(23-11-7-8-12-24(23)35(28)4)22-10-6-5-9-21(22)18-40-25(19)16-34(3)26(38)13-14-30(31,32)33/h5-12,19-20,25,37H,13-18H2,1-4H3/t19-,20-,25-/m0/s1
InChIKey RDYUFLZMPZQAJV-RLSLOFABSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)CCC(F)(F)F)C4=CC=CC=C4N2C)[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-13947 (CHEBI:102600) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-13947 LINCS
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