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CHEBI:758187 - ds-1001b

Default Structure
ChEBI IDCHEBI:758187
ChEBI Nameds-1001b
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC4H11N.C25H18Cl3FN2O4
Net Charge0
Average Mass608.925
Monoisotopic Mass607.12077
SMILESCC(C)(C)N.Cc1cn(C(=O)c2c(-c3c(Cl)cc(Cl)cc3Cl)noc2C(C)(C)F)c2cccc(/C=C/C(=O)O)c12
InChIInChI=1S/C25H18Cl3FN2O4.C4H11N/c1-12-11-31(17-6-4-5-13(19(12)17)7-8-18(32)33)24(34)21-22(30-35-23(21)25(2,3)29)20-15(27)9-14(26)10-16(20)28;1-4(2,3)5/h4-11H,1-3H3,(H,32,33);5H2,1-3H3/b8-7+;
InChIKeyUPPAAWQBZQBNIE-USRGLUTNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ds-1001b (CHEBI:758187) is a indolyl carboxylic acid (CHEBI:46867)
Synonym  Source
Ds-1001bChEMBL