1316048

Source:http://linkedlifedata.com/resource/chembl/compound/1316048

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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/C15H12N4OS/c20-14-13(9-12-7-4-8-21-12)17-15(18-14)19-16-10-11-5-2-1-3-6-11/h1-10H,(H2,17,18,19,20)/b13-9-,16-10+
chemicalCompound:standardIn...	LMZNIZZDKFTZDP-XMHXKSDUSA-N
chemicalCompound:canonicalS...	O=C1N\C(=N\N=C\c2ccccc2)\N/C/1=C\c3cccs3
chemicalCompound:molecularF...	C15H12N4OS
chemicalCompound:moleculeId	1316048
chemicalCompound:mwFreebase	296.347
chemicalCompound:alogp	2.595
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	94.09
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.298
chemicalCompound:acdLogP	2.423
chemicalCompound:acdLogD	2.422
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	296.347
chemicalCompound:acdMostBpk...	2.632
chemicalCompound:chemblId	CHEMBL1994757
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1416048
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:8232800, activity:8293205, activity:8353760, activity:8364438, activity:8387650, activity:8451748, activity:8476174, activity:8540943, activity:8561045, activity:8625915, activity:8641823, activity:8708994, activity:8710838, activity:8746593, activity:8758003, activity:8844021, activity:8850720, activity:8881835, activity:8949839, activity:8986955, activity:9050175, activity:9057668, activity:9122162, activity:9146606, activity:9166653, activity:9272554, activity:9275086, activity:9339200, activity:9408845, activity:9415595, activity:9492052, activity:9494577, activity:9505723, activity:9663120, activity:9699326, activity:9835105, activity:9846200, activity:9879365, activity:9913240, activity:10016506, activity:10020735, activity:10036309, activity:10060119, activity:10135634, activity:10150914, activity:10237363, activity:10261748, activity:10268437, activity:10356205, activity:10383891, activity:10430370, activity:10453822, activity:10481427, activity:10574852, activity:10659337, activity:10661082, activity:10683359, activity:10760795, activity:10780816