The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016

Id	http://purl.obolibrary.org/obo/dinto_DB04751 http://purl.obolibrary.org/obo/dinto_DB04751
Preferred Name	purvalanol a
Synonyms	C19H25ClN6O (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
Type	http://www.w3.org/2002/07/owl#Class

prefLabel	purvalanol a
label	purvalanol a
DBSynonym	6-((3-chloro)anilino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine purv
type	http://www.w3.org/2002/07/owl#Class
InChIKey	InChIKey=PMXCMJLOPOFPBT-HNNXBMFYSA-N
Synonym	C19H25ClN6O (2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
xref	ChemSpider:401707 BindingDB:27216 PDB:P01 ChEBI:47600 PubChem Substance:46506488 PubChem Compound:456214 See more See less
CASRN	212844-53-6
prefixIRI	obo2:dinto_DB04751
related with	http://purl.obolibrary.org/obo/dinto_2589 http://purl.obolibrary.org/obo/dinto_2203 http://purl.obolibrary.org/obo/dinto_0540
SMILES	[H][C@@](CO)(NC1=NC(NC2=CC=CC(Cl)=C2)=C2N=CN(C(C)C)C2=N1)C(C)C
InChI	InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1
subClassOf	http://purl.obolibrary.org/obo/dinto_000055

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