370511

Source:http://linkedlifedata.com/resource/chembl/compound/370511

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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/C11H15N5S/c1-9(10-8-12-4-5-13-10)14-15-11(17)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)/b14-9+
chemicalCompound:standardIn...	VYYCUPFQSXZZSA-NTEUORMPSA-N
chemicalCompound:canonicalS...	C\C(=N/NC(=S)N1CCCC1)\c2cnccn2
chemicalCompound:molecularF...	C11 H15 N5 S
chemicalCompound:moleculeId	370511
chemicalCompound:mwFreebase	249.335
chemicalCompound:alogp	1.336
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	85.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.197
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	249.335
chemicalCompound:acdMostBpk...	0.983
chemicalCompound:chemblId	CHEMBL221062
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:470511
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:523394, activity:523395, activity:1821810, activity:1821814