471669

Source:http://linkedlifedata.com/resource/chembl/compound/471669

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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:660486
chemicalCompound:standardIn...	InChI=1S/C16H18N2S.ClH/c1-17-9-7-14(16-6-3-11-19-16)12-4-2-5-15-13(12)8-10-18-15;/h2-6,8,10-11,14,17-18H,7,9H2,1H3;1H/t14-;/m0./s1
chemicalCompound:standardIn...	MASIZGXZLCEQNH-UQKRIMTDSA-N
chemicalCompound:canonicalS...	Cl.CNCC[C@H](c1cccs1)c2cccc3[nH]ccc23
chemicalCompound:molecularF...	C16H19ClN2S
chemicalCompound:moleculeId	471669
chemicalCompound:mwFreebase	270.393
chemicalCompound:alogp	3.465
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	56.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.168
chemicalCompound:acdLogD	0.452
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	306.853
chemicalCompound:acdMostBpk...	10.335
chemicalCompound:chemblId	CHEMBL468914
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571669
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:2265505, activity:2265506, activity:2265507