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CHEBI:756576 - bms-962212

Default Structure
ChEBI IDCHEBI:756576
ChEBI Namebms-962212
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC32H28ClFN8O5
Net Charge0
Average Mass659.078
Monoisotopic Mass658.18552
SMILESCN1CCN(c2cccc3c2CCN(C(=O)/C=C/c2c(-n4cnnn4)ccc(Cl)c2F)[C@@H]3C(=O)Nc2ccc(C(=O)O)cc2)C(=O)C1
InChIInChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1
InChIKeyWYFCZWSWFGJODV-MIANJLSGSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
anticoagulant  An agent that prevents blood clotting.
ChEBI Ontology
Outgoing Relation(s)
bms-962212 (CHEBI:756576) has role anticoagulant (CHEBI:50249)
bms-962212 (CHEBI:756576) is a amidobenzoic acid (CHEBI:48470)
Synonym  Source
BMS-962212ChEMBL
Citations