731604

Source:http://linkedlifedata.com/resource/chembl/compound/731604

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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/C17H14N2O2S/c1-19-13(17(20)18-10-11-5-4-8-22-11)9-15-16(19)12-6-2-3-7-14(12)21-15/h2-9H,10H2,1H3,(H,18,20)
chemicalCompound:standardIn...	OXBONIFOUSLQLR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c(cc2oc3ccccc3c12)C(=O)NCc4cccs4
chemicalCompound:molecularF...	C17H14N2O2S
chemicalCompound:moleculeId	731604
chemicalCompound:mwFreebase	310.37
chemicalCompound:alogp	3.747
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	75.41
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.582
chemicalCompound:acdLogP	4.212
chemicalCompound:acdLogD	4.212
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	310.37
chemicalCompound:chemblId	CHEMBL1307720
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:831604
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:3708635, activity:3723397, activity:3749288, activity:3848423, activity:3891050, activity:3915874, activity:4301358, activity:4508310, activity:4524884, activity:4590922, activity:4657571, activity:4808723, activity:4843342, activity:4846245, activity:4850989, activity:4853539, activity:5004933, activity:5013777, activity:5049112, activity:5458640, activity:6754707, activity:6782021, activity:6801442, activity:7037232, activity:7193620, activity:7215430, activity:7342092, activity:7377988, activity:7541980, activity:7556208