113414

Source:http://linkedlifedata.com/resource/chembl/compound/113414

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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/C9H8ClN3/c10-9-2-1-8(5-12-9)6-13-4-3-11-7-13/h1-5,7H,6H2
chemicalCompound:standardIn...	SIJYMRYEGFGOJP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(Cn2ccnc2)cn1
chemicalCompound:molecularF...	C9 H8 Cl N3
chemicalCompound:moleculeId	113414
chemicalCompound:mwFreebase	193.633
chemicalCompound:alogp	1.229
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	30.71
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.985
chemicalCompound:acdLogD	0.966
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	193.633
chemicalCompound:acdMostBpk...	6.274
chemicalCompound:chemblId	CHEMBL306188
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:213414
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:561008, activity:5492842, activity:6504232, activity:6934851, activity:7180088, activity:7335551