2

Source:http://linkedlifedata.com/resource/chembl/compound/2

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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/C18H12N4O3/c1-11-8-14(22-18(25)21-16(23)10-20-22)6-7-15(11)17(24)13-4-2-12(9-19)3-5-13/h2-8,10H,1H3,(H,21,23,25)
chemicalCompound:standardIn...	ZJYUMURGSZQFMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(ccc1C(=O)c2ccc(cc2)C#N)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C18 H12 N4 O3
chemicalCompound:moleculeId	2
chemicalCompound:mwFreebase	332.313
chemicalCompound:alogp	2.559
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	102.63
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.442
chemicalCompound:acdLogP	2.643
chemicalCompound:acdLogD	1.678
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	332.313
chemicalCompound:chemblId	CHEMBL6328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100002
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:190321, activity:190322