1027393

Source:http://linkedlifedata.com/resource/chembl/compound/1027393

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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/C12H10N2S/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)
chemicalCompound:standardIn...	VKEYVDPRFIYFDZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(s1)c2nc3ccccc3[nH]2
chemicalCompound:molecularF...	C12H10N2S
chemicalCompound:moleculeId	1027393
chemicalCompound:mwFreebase	214.286
chemicalCompound:alogp	3.369
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	56.91
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.12
chemicalCompound:acdLogP	2.517
chemicalCompound:acdLogD	2.514
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	214.286
chemicalCompound:acdMostBpk...	4.926
chemicalCompound:chemblId	CHEMBL1603509
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1127393
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:3684865, activity:3696067, activity:3712184, activity:3774061, activity:3800896, activity:3834514, activity:3876172, activity:3905008, activity:3952257, activity:3954700, activity:3985119, activity:4129136, activity:4280981, activity:4338388, activity:4360066, activity:4432061, activity:4533994, activity:4536866, activity:4587543, activity:4736226, activity:4811594, activity:4829118, activity:4850566, activity:4865686, activity:4990627, activity:5430621, activity:5512969, activity:5575777, activity:5663128, activity:5702174, activity:5785043, activity:5880334, activity:6763816, activity:7018770, activity:7150970, activity:7355821, activity:7399662, activity:7519593, activity:10423307