870697

Source:http://linkedlifedata.com/resource/chembl/compound/870697

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:32459
chemicalCompound:standardIn...	InChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H
chemicalCompound:standardIn...	XVDFMHARQUBJRE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.CNCCc1ccccn1
chemicalCompound:molecularF...	C8H14Cl2N2
chemicalCompound:moleculeId	870697
chemicalCompound:mwFreebase	136.194
chemicalCompound:alogp	0.68
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	24.92
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.018
chemicalCompound:acdLogD	-2.452
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	209.116
chemicalCompound:acdMostBpk...	9.754
chemicalCompound:chemblId	CHEMBL1446813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:970697
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:4184253, activity:4469905, activity:5316287, activity:5316538, activity:7553593