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CHEBI:34549 - BMS 379224

ChEBI IDCHEBI:34549
ChEBI NameBMS 379224
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H20F2N5O5PS
Net Charge0
Average Mass547.480
Monoisotopic Mass547.08908
SMILESC[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@@](Cn1cncn1)(OCOP(=O)(O)O)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N5O5PS/c1-15(22-29-21(10-37-22)17-4-2-16(9-26)3-5-17)23(11-30-13-27-12-28-30,34-14-35-36(31,32)33)19-7-6-18(24)8-20(19)25/h2-8,10,12-13,15H,11,14H2,1H3,(H2,31,32,33)/t15-,23+/m0/s1
InChIKeySYTNEMZCCLUTNX-NPMXOYFQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BMS 379224 (CHEBI:34549) is a amine (CHEBI:32952)
Synonym  Source
BMS 379224KEGG COMPOUND
Manual XrefsDatabases
C14817KEGG COMPOUND