1083206

Source:http://linkedlifedata.com/resource/chembl/compound/1083206

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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/C16H15Cl2N3O/c17-12-4-5-13(14(18)11-12)16(22)21-9-7-20(8-10-21)15-3-1-2-6-19-15/h1-6,11H,7-10H2
chemicalCompound:standardIn...	LLKNJUWGIBHQFW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(C(=O)N2CCN(CC2)c3ccccn3)c(Cl)c1
chemicalCompound:molecularF...	C16H15Cl2N3O
chemicalCompound:moleculeId	1083206
chemicalCompound:mwFreebase	336.216
chemicalCompound:alogp	3.59
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	36.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.81
chemicalCompound:acdLogD	2.757
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.216
chemicalCompound:acdMostBpk...	8.428
chemicalCompound:chemblId	CHEMBL1702475
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1183206
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:5552350, activity:6608722, activity:6776285, activity:7298629, activity:7345670