593216

Source:http://linkedlifedata.com/resource/chembl/compound/593216

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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/C11H11N3S/c12-11-14-7-3-6-13-10(14)8-4-1-2-5-9(8)15-11/h1-2,4-5,12H,3,6-7H2
chemicalCompound:standardIn...	JNENSSREQFBZGT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	N=C1Sc2ccccc2C3=NCCCN13
chemicalCompound:molecularF...	C11H11N3S
chemicalCompound:moleculeId	593216
chemicalCompound:mwFreebase	217.29
chemicalCompound:alogp	2.172
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	64.75
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.233
chemicalCompound:acdLogD	2.232
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	217.29
chemicalCompound:acdMostBpk...	4.355
chemicalCompound:chemblId	CHEMBL595227
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:693216
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:3069901, activity:3672766, activity:3692507, activity:3701135, activity:3711908, activity:3745517, activity:3764565, activity:3933816, activity:3941392, activity:3952936, activity:3974187, activity:4015446, activity:4063663, activity:4189352, activity:4279482, activity:4358381, activity:4388255, activity:4469722, activity:4517251, activity:4532280, activity:4536252, activity:4583918, activity:4586047, activity:4675310, activity:4764844, activity:4811397, activity:4813376, activity:4829767, activity:4830423, activity:4970568, activity:5006300, activity:5037538, activity:5074329, activity:5074807, activity:5570087, activity:5724312, activity:5864557, activity:6798390, activity:7318125, activity:7448774, activity:7451552, activity:7483820, activity:7515924