471671

Source:http://linkedlifedata.com/resource/chembl/compound/471671

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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:660487
chemicalCompound:standardIn...	InChI=1S/C17H20N2S.ClH/c1-18-10-3-6-15(17-8-4-12-20-17)13-5-2-7-16-14(13)9-11-19-16;/h2,4-5,7-9,11-12,15,18-19H,3,6,10H2,1H3;1H/t15-;/m0./s1
chemicalCompound:standardIn...	CQHBBZGQUQARNW-RSAXXLAASA-N
chemicalCompound:canonicalS...	Cl.CNCCC[C@H](c1cccs1)c2cccc3[nH]ccc23
chemicalCompound:molecularF...	C17H21ClN2S
chemicalCompound:moleculeId	471671
chemicalCompound:mwFreebase	284.419
chemicalCompound:alogp	3.921
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	56.05
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.912
chemicalCompound:acdLogD	0.063
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	320.88
chemicalCompound:acdMostBpk...	10.602
chemicalCompound:chemblId	CHEMBL468915
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571671
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:2265511, activity:2265512, activity:2265513