Chemical Entities of Biological Interest Ontology / 生物相关的化学实体本体

Last uploaded: September 7, 2023

Preferred Name	irdabisant
Synonyms	3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
ID	http://purl.obolibrary.org/obo/CHEBI_177564
charge	0
database_cross_reference	CAS:1005402-19-6 KEGG:D10128 DrugBank:DB12900 Chemspider:25991416
formula	C18H23N3O2
has_exact_synonym	3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
has_obo_namespace	chebi_ontology
id	CHEBI:177564
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C18H23N3O2/c1-14-4-2-11-21(14)12-3-13-23-16-7-5-15(6-8-16)17-9-10-18(22)20-19-17/h5-10,14H,2-4,11-13H2,1H3,(H,20,22)/t14-/m1/s1
inchikey	XUKROCVZGZNGSI-CQSZACIVSA-N
label	irdabisant
mass	313.401
monoisotopicmass	313.17903
notation	CHEBI:177564
prefLabel	irdabisant
smiles	O(CCCN1[C@@H](CCC1)C)C2=CC=C(C=C2)C3=NNC(=O)C=C3
treeView	http://purl.obolibrary.org/obo/CHEBI_36820 http://purl.obolibrary.org/obo/CHEBI_37921
subClassOf	http://purl.obolibrary.org/obo/CHEBI_36820 http://purl.obolibrary.org/obo/CHEBI_37921

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Delete	Mapping To	Ontology	Source
	http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C170078	National Cancer Institute Thesaurus / 美国国家癌症研究所词典	LOOM