407037

Source:http://linkedlifedata.com/resource/chembl/compound/407037

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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/C13H10N4O2S/c18-10-3-2-8(6-11(10)19)9-7-20-13(16-9)17-12-14-4-1-5-15-12/h1-7,18-19H,(H,14,15,16,17)
chemicalCompound:standardIn...	AXEGYQIJLMUXKW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc(cc1O)c2csc(Nc3ncccn3)n2
chemicalCompound:molecularF...	C13 H10 N4 O2 S
chemicalCompound:moleculeId	407037
chemicalCompound:mwFreebase	286.309
chemicalCompound:alogp	1.945
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	119.4
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.646
chemicalCompound:acdLogP	2.081
chemicalCompound:acdLogD	2.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.309
chemicalCompound:acdMostBpk...	2.227
chemicalCompound:chemblId	CHEMBL240333
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:507037
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:2032621, activity:2032694, activity:3694499, activity:3701852, activity:3738535, activity:3779900, activity:3826939, activity:3870382, activity:3944663, activity:3953092, activity:4035501, activity:4073238, activity:4122688, activity:4281652, activity:4293209, activity:4362631, activity:4370288, activity:4558880, activity:4587188, activity:4718055, activity:4790053, activity:4867820, activity:4889152, activity:4926069, activity:4974877, activity:5012855, activity:5032957, activity:5407668, activity:5419399, activity:5465795, activity:5613496, activity:5675370, activity:5681062, activity:5735070, activity:5915160, activity:6553859, activity:6635452, activity:6746343, activity:6879397, activity:7182236, activity:7251555, activity:7363866, activity:7400408, activity:7492215, activity:9782963