568910

Source:http://linkedlifedata.com/resource/chembl/compound/568910

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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/C17H20F2N4/c1-22(2)11-6-12-23(15-7-4-3-5-8-15)21-20-17-13-14(18)9-10-16(17)19/h3-5,7-10,13H,6,11-12H2,1-2H3/b21-20+
chemicalCompound:standardIn...	SAWJFRISRQVNIZ-QZQOTICOSA-N
chemicalCompound:canonicalS...	CN(C)CCCN(N=Nc1cc(F)ccc1F)c2ccccc2
chemicalCompound:molecularF...	C17H20F2N4
chemicalCompound:moleculeId	568910
chemicalCompound:mwFreebase	318.364
chemicalCompound:alogp	4.402
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	31.2
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.83
chemicalCompound:acdLogD	1.785
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	318.364
chemicalCompound:acdMostBpk...	9.278
chemicalCompound:chemblId	CHEMBL575209
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:668910
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:2913474, activity:2913520, activity:2913578, activity:2913636, activity:2913694, activity:2913752, activity:2913810, activity:2914240, activity:2914273, activity:2914331, activity:2914389, activity:2914471, activity:2914491, activity:2914512, activity:2914533