159080

Source:http://linkedlifedata.com/resource/chembl/compound/159080

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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/C14H17Cl2N/c15-10-4-6-12(13(16)9-10)14-7-5-11-3-1-2-8-17(11)14/h4,6,9,11,14H,1-3,5,7-8H2/t11-,14-/m1/s1
chemicalCompound:standardIn...	SPSISAJKNKOSEY-BXUZGUMPSA-N
chemicalCompound:canonicalS...	Clc1ccc([C@H]2CC[C@H]3CCCCN23)c(Cl)c1
chemicalCompound:molecularF...	C14 H17 Cl2 N
chemicalCompound:moleculeId	159080
chemicalCompound:mwFreebase	270.197
chemicalCompound:alogp	4.668
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.955
chemicalCompound:acdLogD	2.31
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	270.197
chemicalCompound:acdMostBpk...	9.05
chemicalCompound:chemblId	CHEMBL97959
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259080
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:62791, activity:62792