766212

Source:http://linkedlifedata.com/resource/chembl/compound/766212

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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/C16H13N7O/c24-15(14-20-16-17-7-4-8-23(16)21-14)19-13-9-18-22(11-13)10-12-5-2-1-3-6-12/h1-9,11H,10H2,(H,19,24)
chemicalCompound:standardIn...	CLVZMTUHVRUEOE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(Nc1cnn(Cc2ccccc2)c1)c3nc4ncccn4n3
chemicalCompound:molecularF...	C16H13N7O
chemicalCompound:moleculeId	766212
chemicalCompound:mwFreebase	319.321
chemicalCompound:alogp	1.36
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	90
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.387
chemicalCompound:acdLogP	1.007
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	319.321
chemicalCompound:acdMostBpk...	0.411
chemicalCompound:chemblId	CHEMBL1342328
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:866212
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:3606534, activity:3823187, activity:3853490, activity:4212990, activity:4459501, activity:4736489, activity:4952333, activity:5488116, activity:5645418, activity:5682613, activity:5943807, activity:6489780, activity:7098831, activity:7430859