753058

Source:http://linkedlifedata.com/resource/chembl/compound/753058

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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/C14H16N4O2S/c1-8(2)12(19)15-11-6-4-5-10(7-11)13(20)16-14-18-17-9(3)21-14/h4-8H,1-3H3,(H,15,19)(H,16,18,20)
chemicalCompound:standardIn...	CZKHYUHYTLPRID-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C(=O)Nc1cccc(c1)C(=O)Nc2nnc(C)s2
chemicalCompound:molecularF...	C14H16N4O2S
chemicalCompound:moleculeId	753058
chemicalCompound:mwFreebase	304.367
chemicalCompound:alogp	1.599
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	112.22
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.855
chemicalCompound:acdLogP	2.66
chemicalCompound:acdLogD	2.651
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.367
chemicalCompound:acdMostBpk...	0.609
chemicalCompound:chemblId	CHEMBL1329174
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:853058
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:4200570, activity:4560088, activity:5923093, activity:6002962, activity:6004715, activity:6015143, activity:6037640, activity:6070836, activity:7171158