957086

Source:http://linkedlifedata.com/resource/chembl/compound/957086

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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/C14H12N4OS/c1-9(16)11(6-15)13(19)7-20-14-10-4-2-3-5-12(10)17-8-18-14/h2-5,8,16,19H,7H2,1H3
chemicalCompound:standardIn...	JXNAQJYGHQTWQL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=N)C(=C(O)CSc1ncnc2ccccc12)C#N
chemicalCompound:molecularF...	C14H12N4OS
chemicalCompound:moleculeId	957086
chemicalCompound:mwFreebase	284.336
chemicalCompound:alogp	2.088
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	118.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.192
chemicalCompound:acdLogP	1.409
chemicalCompound:acdLogD	-0.657
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	284.336
chemicalCompound:acdMostBpk...	7.457
chemicalCompound:chemblId	CHEMBL1533202
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1057086
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:3619780, activity:3816511, activity:4052414, activity:4291043, activity:4356751, activity:4843279, activity:4927213, activity:5021795, activity:5023157, activity:5380550, activity:5509232, activity:5574561, activity:6897748, activity:6986172, activity:7460632, activity:7529807