CHEBI:102656 - LSM-14003

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ChEBI Name LSM-14003
ChEBI ID CHEBI:102656
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H37FN4O4
Net Charge 0
Average Mass 572.671
Monoisotopic Mass 572.27988
InChI InChI=1S/C33H37FN4O4/c1-21-17-38(22(2)19-39)32(40)31-30(27-11-7-8-12-28(27)37(31)4)26-10-6-5-9-23(26)20-42-29(21)18-36(3)33(41)35-25-15-13-24(34)14-16-25/h5-16,21-22,29,39H,17-20H2,1-4H3,(H,35,41)/t21-,22+,29+/m1/s1
InChIKey HIWUQZOVKTUVHW-BXOOBUKZSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=C(C=C4)F)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-14003 (CHEBI:102656) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-14003 LINCS
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