799048

Source:http://linkedlifedata.com/resource/chembl/compound/799048

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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/C12H10N6O2S/c19-10(17-18-7-13-14-8-18)6-21-12-16-15-11(20-12)9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,19)
chemicalCompound:standardIn...	WXHQBJWXYXQGOG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSc1oc(nn1)c2ccccc2)Nn3cnnc3
chemicalCompound:molecularF...	C12H10N6O2S
chemicalCompound:moleculeId	799048
chemicalCompound:mwFreebase	302.312
chemicalCompound:alogp	0.467
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	124.03
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.717
chemicalCompound:acdLogP	1.882
chemicalCompound:acdLogD	1.585
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	302.312
chemicalCompound:acdMostBpk...	2.047
chemicalCompound:chemblId	CHEMBL1375164
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:899048
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:3731421, activity:3773031, activity:4640967, activity:4779559, activity:4910321, activity:4996645, activity:5740113, activity:6713836