222842

Source:http://linkedlifedata.com/resource/chembl/compound/222842

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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/C20H18N4/c21-17-8-6-16(7-9-17)20(24-11-10-22-14-24)19-13-23-12-18(19)15-4-2-1-3-5-15/h1-14,20,23H,21H2
chemicalCompound:standardIn...	WHBXFKZDJXQRSD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ccc(cc1)C(c2c[nH]cc2c3ccccc3)n4ccnc4
chemicalCompound:molecularF...	C20 H18 N4
chemicalCompound:moleculeId	222842
chemicalCompound:mwFreebase	314.384
chemicalCompound:alogp	2.984
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	59.63
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.494
chemicalCompound:acdLogD	3.383
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	314.384
chemicalCompound:acdMostBpk...	6.827
chemicalCompound:chemblId	CHEMBL135749
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:322842
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:1259367, activity:1259368, activity:1259369, activity:1259370, activity:1259371, activity:1259372, activity:1259373, activity:1259374, activity:1259375, activity:1259376, activity:1259377, activity:1259378, activity:1259379, activity:1259380, activity:1259381, activity:1259382