1311

Source:http://linkedlifedata.com/resource/chembl/compound/1311

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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/C8H7N3O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H3,9,10,11,12)
chemicalCompound:standardIn...	SDTFBAXSPXZDKC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1=Nc2ccccc2C(=O)N1
chemicalCompound:molecularF...	C8H7N3O
chemicalCompound:moleculeId	1311
chemicalCompound:mwFreebase	161.161
chemicalCompound:alogp	0.619
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.001
chemicalCompound:acdLogP	0.6
chemicalCompound:acdLogD	0.599
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	161.161
chemicalCompound:acdMostBpk...	4.039
chemicalCompound:chemblId	CHEMBL6993
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:101311
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:40754
chemicalCompound:activity	activity:495108, activity:2460287