487203

Source:http://linkedlifedata.com/resource/chembl/compound/487203

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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/C21H22N4/c1-15-4-8-17(9-5-15)19-21(25-13-12-22-14-25)20(24(3)23-19)18-10-6-16(2)7-11-18/h4-14,20-21H,1-3H3/t20-,21-/m1/s1
chemicalCompound:standardIn...	UJCKNTQRFZTYEV-NHCUHLMSSA-N
chemicalCompound:canonicalS...	CN1N=C([C@H]([C@H]1c2ccc(C)cc2)n3ccnc3)c4ccc(C)cc4
chemicalCompound:molecularF...	C21H22N4
chemicalCompound:moleculeId	487203
chemicalCompound:mwFreebase	330.426
chemicalCompound:alogp	3.692
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	33.42
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.056
chemicalCompound:acdLogD	5.054
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	330.426
chemicalCompound:acdMostBpk...	5.891
chemicalCompound:chemblId	CHEMBL450830
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:587203
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:2215575, activity:2215595, activity:2215615