Chemical Entities of Biological Interest Ontology

Last uploaded: March 1, 2019

Preferred Name	BMS 379224
Synonyms	BMS 379224
ID	http://purl.obolibrary.org/obo/CHEBI_34549
charge	0
database_cross_reference	KEGG:C14817
formula	C23H20F2N5O5PS
has_exact_synonym	BMS 379224
has_obo_namespace	chebi_ontology
id	CHEBI:34549
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=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
inchikey	SYTNEMZCCLUTNX-NPMXOYFQSA-N
label	BMS 379224
mass	547.473
monoisotopicmass	547.089
notation	CHEBI:34549
prefLabel	BMS 379224
smiles	C[C@@H](c1nc(cs1)-c1ccc(cc1)C#N)[C@@](Cn1cncn1)(OCOP(O)(O)=O)c1ccc(F)cc1F
treeView	http://purl.obolibrary.org/obo/CHEBI_32952
subClassOf	http://purl.obolibrary.org/obo/CHEBI_32952

Delete	Subject	Author	Type	Created
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Delete	Mapping To	Ontology	Source
	http://purl.bioontology.org/ontology/MESH/C508093	Medical Subject Headings	LOOM