647799

Source:http://linkedlifedata.com/resource/chembl/compound/647799

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H15N7/c1-11(13-7-3-5-9-17-13)19-15-21-16(23-22-15)20-12(2)14-8-4-6-10-18-14/h3-10H,1-2H3,(H,21,22,23)/b19-11+,20-12+
chemicalCompound:standardIn...	NLIKTBZHXCPCMF-AYKLPDECSA-N
chemicalCompound:canonicalS...	C\C(=N/c1n[nH]c(\N=C(/C)\c2ccccn2)n1)\c3ccccn3
chemicalCompound:molecularF...	C16H15N7
chemicalCompound:moleculeId	647799
chemicalCompound:mwFreebase	305.337
chemicalCompound:alogp	2.362
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	92.07
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.683
chemicalCompound:acdLogP	3.225
chemicalCompound:acdLogD	3.224
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.337
chemicalCompound:acdMostBpk...	3.312
chemicalCompound:chemblId	CHEMBL1170998
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:747799
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:3356480, activity:3356485, activity:3356490, activity:3356495, activity:3356500, activity:3356505, activity:3356510, activity:3356514, activity:3356518, activity:3356522, activity:3356526, activity:3356530, activity:3356534, activity:3356559, activity:3356560, activity:3356561, activity:3356562, activity:3356563, activity:3356564