748198

Source:http://linkedlifedata.com/resource/chembl/compound/748198

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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:686046
chemicalCompound:standardIn...	InChI=1S/C12H14N2.2ClH/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12;;/h1-7,14H,8-9,13H2;2*1H
chemicalCompound:standardIn...	MZNYWPRCVDMOJG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.NCCNc1cccc2ccccc12
chemicalCompound:molecularF...	C12H16Cl2N2
chemicalCompound:moleculeId	748198
chemicalCompound:mwFreebase	186.253
chemicalCompound:alogp	1.718
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	38.04
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.67
chemicalCompound:acdLogD	0.866
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	259.175
chemicalCompound:acdMostBpk...	9.432
chemicalCompound:chemblId	CHEMBL1324314
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:848198
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:53452
chemicalCompound:activity	activity:3658019, activity:3689110, activity:3693235, activity:3778894, activity:3902834, activity:3916274, activity:4154016, activity:4386607, activity:4663649, activity:4751089, activity:4872864, activity:5709340, activity:5972478, activity:6428353, activity:6548777, activity:6742986, activity:6958515, activity:7005060, activity:7054419, activity:7140286, activity:7227910, activity:7446339, activity:7464492, activity:7551440, activity:9338274, activity:10297884