738445

Source:http://linkedlifedata.com/resource/chembl/compound/738445

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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/C21H17ClN4O2S/c1-12-8-9-15(22)10-17(12)23-19(27)13(2)26-21(28)16-11-18(29-20(16)24-25-26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,23,27)
chemicalCompound:standardIn...	FQLSSLXPLIYPBG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(N1N=Nc2sc(cc2C1=O)c3ccccc3)C(=O)Nc4cc(Cl)ccc4C
chemicalCompound:molecularF...	C21H17ClN4O2S
chemicalCompound:moleculeId	738445
chemicalCompound:mwFreebase	424.903
chemicalCompound:alogp	5.699
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	102.37
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.018
chemicalCompound:acdLogP	4.617
chemicalCompound:acdLogD	4.617
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.903
chemicalCompound:acdMostBpk...	0.274
chemicalCompound:chemblId	CHEMBL1314561
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:838445
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:4010236, activity:4513139, activity:4591803, activity:5354172, activity:5502199, activity:5681272, activity:5804645, activity:6449324, activity:6626551, activity:6842020, activity:6866284, activity:7373478