The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB04615 http://purl.obolibrary.org/obo/dinto_DB04615
Preferred Name	(s)-tacrine(10)-hupyridone
Synonyms	(5S)-5-({10-[(1,2,3,4-tetrahydroacridin-9-yl)amino]decyl}amino)-1,2,5,6,7,8-hexahydroquinolin-2-one C32H44N4O
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	(s)-tacrine(10)-hupyridone
label	(s)-tacrine(10)-hupyridone
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=ROTFGKJJMRTWBD-MHZLTWQESA-N
Synonym	(5S)-5-({10-[(1,2,3,4-tetrahydroacridin-9-yl)amino]decyl}amino)-1,2,5,6,7,8-hexahydroquinolin-2-one C32H44N4O
xref	PDB:A2E PubChem Compound:5326967 PubChem Substance:46504905
prefixIRI	obo2:dinto_DB04615
related with	http://purl.obolibrary.org/obo/dinto_1021
SMILES	O=C1NC2=C(C=C1)[C@H](CCC2)NCCCCCCCCCCNC1=C2CCCCC2=NC2=CC=CC=C12
InChI	InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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