374546

Source:http://linkedlifedata.com/resource/chembl/compound/374546

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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:659767
chemicalCompound:standardIn...	InChI=1S/C12H15ClN2.ClH/c13-11-4-2-8(6-15-11)10-5-7-1-3-9(10)12(7)14;/h2,4,6-7,9-10,12H,1,3,5,14H2;1H/t7?,9?,10-,12-;/m1./s1
chemicalCompound:standardIn...	YZJIECALXLTNCG-BPTQXMDWSA-N
chemicalCompound:canonicalS...	Cl.N[C@@H]1C2CCC1[C@H](C2)c3ccc(Cl)nc3
chemicalCompound:molecularF...	C12 H15 Cl N2 . Cl H
chemicalCompound:moleculeId	374546
chemicalCompound:mwFreebase	222.714
chemicalCompound:alogp	2.028
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.9
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.494
chemicalCompound:acdLogD	-0.277
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	259.175
chemicalCompound:acdMostBpk...	10.495
chemicalCompound:chemblId	CHEMBL434182
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:474546
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:1847050, activity:1847055, activity:1847060, activity:1847065, activity:1847070, activity:1847076