27336

Source:http://linkedlifedata.com/resource/chembl/compound/27336

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:652278
chemicalCompound:standardIn...	InChI=1S/C11H14N4O.C2HF3O2/c1-2-3-4-5-10-14-11(16-15-10)9-6-12-8-13-7-9;3-2(4,5)1(6)7/h8-9H,2-3,6-7H2,1H3,(H,12,13);(H,6,7)
chemicalCompound:standardIn...	YHHMFQRQKZKOQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC#Cc1noc(n1)C2CNC=NC2.OC(=O)C(F)(F)F
chemicalCompound:molecularF...	C11 H14 N4 O . C2 H F3 O2
chemicalCompound:moleculeId	27336
chemicalCompound:mwFreebase	218.255
chemicalCompound:alogp	1.171
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	63.31
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.104
chemicalCompound:acdLogD	0.135
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	332.278
chemicalCompound:acdMostBpk...	10.522
chemicalCompound:chemblId	CHEMBL21284
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:127336
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:156715, activity:156716, activity:156717, activity:156718, activity:156719, activity:156720