CHEBI:100395 - LSM-11770

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ChEBI Name LSM-11770
ChEBI ID CHEBI:100395
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H44N4O4
Net Charge 0
Average Mass 560.728
Monoisotopic Mass 560.33626
InChI InChI=1S/C33H44N4O4/c1-22-18-37(23(2)20-38)32(39)31-30(27-16-10-11-17-28(27)36(31)4)26-15-9-8-12-24(26)21-41-29(22)19-35(3)33(40)34-25-13-6-5-7-14-25/h8-12,15-17,22-23,25,29,38H,5-7,13-14,18-21H2,1-4H3,(H,34,40)/t22-,23+,29-/m0/s1
InChIKey INXMEFHWZGRULI-CTWZREHQSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4CCCCC4)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-11770 (CHEBI:100395) is a indolyl carboxylic acid (CHEBI:46867)
Manual Xref Database
LSM-11770 LINCS
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