1004658

Source:http://linkedlifedata.com/resource/chembl/compound/1004658

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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/C12H13N3S/c1-2-4-9(5-3-1)11-8-16-12(15-14-11)13-10-6-7-10/h1-5,10H,6-8H2,(H,13,15)
chemicalCompound:standardIn...	TYKZJKITBFVWJU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CC1NC2=NN=C(CS2)c3ccccc3
chemicalCompound:molecularF...	C12H13N3S
chemicalCompound:moleculeId	1004658
chemicalCompound:mwFreebase	231.317
chemicalCompound:alogp	2.637
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	62.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.698
chemicalCompound:acdLogD	0.927
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	231.317
chemicalCompound:acdMostBpk...	9.552
chemicalCompound:chemblId	CHEMBL1580774
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1104658
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:3684742, activity:3695778, activity:3770336, activity:3794310, activity:3853973, activity:3891200, activity:3894753, activity:3951567, activity:3954560, activity:4050268, activity:4083087, activity:4095757, activity:4149764, activity:4237682, activity:4280469, activity:4384278, activity:4701850, activity:4740599, activity:4760326, activity:4767542, activity:4788454, activity:4795809, activity:4826217, activity:4847515, activity:5471758, activity:5621167, activity:5680197, activity:5745153, activity:5936310, activity:5982472, activity:6473442, activity:6662588, activity:6881908, activity:6987956, activity:7135588, activity:7359183, activity:7362798, activity:7406470, activity:7478166, activity:7536407, activity:10431867