335757

Source:http://linkedlifedata.com/resource/chembl/compound/335757

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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/C11H8N4/c1-2-4-9-8(3-1)14-11(15-9)10-7-12-5-6-13-10/h1-7H,(H,14,15)
chemicalCompound:standardIn...	RUDHSKFULPGCLM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	c1ccc2[nH]c(nc2c1)c3cnccn3
chemicalCompound:molecularF...	C11 H8 N4
chemicalCompound:moleculeId	335757
chemicalCompound:mwFreebase	196.208
chemicalCompound:alogp	1.397
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	54.46
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.177
chemicalCompound:acdLogP	1.24
chemicalCompound:acdLogD	1.24
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	196.208
chemicalCompound:acdMostBpk...	2.759
chemicalCompound:chemblId	CHEMBL200059
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:435757
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:1670304, activity:1670344, activity:3353700, activity:3353758, activity:3353809, activity:3353886, activity:3354140