1314816

Source:http://linkedlifedata.com/resource/chembl/compound/1314816

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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/C10H8N6/c11-10-12-9-8(14-16-10)7(13-15-9)6-4-2-1-3-5-6/h1-5H,(H3,11,12,13,15,16)
chemicalCompound:standardIn...	SREKPZQIQWKBDH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nnc2c(n[nH]c2n1)c3ccccc3
chemicalCompound:molecularF...	C10H8N6
chemicalCompound:moleculeId	1314816
chemicalCompound:mwFreebase	212.211
chemicalCompound:alogp	1.576
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	93.36
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.77
chemicalCompound:acdLogP	0.574
chemicalCompound:acdLogD	-0.912
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	212.211
chemicalCompound:acdMostBpk...	3.973
chemicalCompound:chemblId	CHEMBL1993525
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1414816
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:8241400, activity:8305771, activity:8362422, activity:8385474, activity:8396178, activity:8489199, activity:8574243, activity:8655846, activity:8715211, activity:8759529, activity:8766604, activity:8919953, activity:8958474, activity:9015856, activity:9063194, activity:9088752, activity:9135211, activity:9175329, activity:9283590, activity:9285532, activity:9352065, activity:9421693, activity:9424315, activity:9500533, activity:9503176, activity:9675322, activity:9693986, activity:9708022, activity:9754612, activity:9854707, activity:9883724, activity:9921750, activity:9955124, activity:10079564, activity:10087214, activity:10159580, activity:10217666, activity:10388197, activity:10426912, activity:10434494, activity:10484217, activity:10485777, activity:10583143, activity:10604847, activity:10663565, activity:10691901, activity:10773695, activity:10789187