803419

Source:http://linkedlifedata.com/resource/chembl/compound/803419

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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/C18H15N7O3S/c19-17-16(23-22-12-6-8-13(9-7-12)29(20,27)28)18-21-14(10-15(26)25(18)24-17)11-4-2-1-3-5-11/h1-10,26H,(H2,19,24)(H2,20,27,28)
chemicalCompound:standardIn...	XLSQRWQKNJFYQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nn2c(O)cc(nc2c1N=Nc3ccc(cc3)S(=O)(=O)N)c4ccccc4
chemicalCompound:molecularF...	C18H15N7O3S
chemicalCompound:moleculeId	803419
chemicalCompound:mwFreebase	409.422
chemicalCompound:alogp	3.214
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	169.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-2.408
chemicalCompound:acdLogP	2.1
chemicalCompound:acdLogD	-0.429
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	409.422
chemicalCompound:chemblId	CHEMBL1379535
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:903419
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:3934624, activity:3957104, activity:3996303, activity:4012467, activity:4336983, activity:4338392, activity:4537832, activity:4851853, activity:5352499, activity:5430646, activity:5702213, activity:5796707, activity:5969552, activity:6426943, activity:6459851, activity:6735811, activity:6763834, activity:6999764, activity:7203939, activity:7297989, activity:7370017, activity:7399675