784817

Source:http://linkedlifedata.com/resource/chembl/compound/784817

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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/C15H16N4O3S2/c20-12(19-6-8-22-9-7-19)10-23-15-18-17-14(24-15)16-13(21)11-4-2-1-3-5-11/h1-5H,6-10H2,(H,16,17,21)
chemicalCompound:standardIn...	ZRGNCKMZPPIADI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSc1nnc(NC(=O)c2ccccc2)s1)N3CCOCC3
chemicalCompound:molecularF...	C15H16N4O3S2
chemicalCompound:moleculeId	784817
chemicalCompound:mwFreebase	364.443
chemicalCompound:alogp	1.125
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	137.96
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.61
chemicalCompound:acdLogP	2.288
chemicalCompound:acdLogD	2.26
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	364.443
chemicalCompound:chemblId	CHEMBL1360933
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:884817
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:3760586, activity:3860437, activity:3863211, activity:4073939, activity:4756015, activity:4806232, activity:4819985, activity:5377821, activity:5487842, activity:5549081, activity:5690083, activity:5771544, activity:5949031, activity:6496719, activity:6812829, activity:6977451, activity:6993793, activity:7190932, activity:7235196, activity:7313568, activity:7393483