1312

Source:http://linkedlifedata.com/resource/chembl/compound/1312

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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/C18H14N4S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)23-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)
chemicalCompound:standardIn...	PFAYJJZRASFRBB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1
chemicalCompound:molecularF...	C18 H14 N4 S
chemicalCompound:moleculeId	1312
chemicalCompound:mwFreebase	318.396
chemicalCompound:alogp	3.981
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	103.11
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.1
chemicalCompound:acdLogD	2.378
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.396
chemicalCompound:acdMostBpk...	7.992
chemicalCompound:chemblId	CHEMBL7050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101312
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:370745, activity:484629, activity:971024, activity:1007954, activity:2828203, activity:2840108, activity:2846929, activity:2851705, activity:2884354, activity:2884619