124101

Source:http://linkedlifedata.com/resource/chembl/compound/124101

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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/C17H23N3S/c1-20-11-6-2-3-9-17(20)18-10-12-21-16-13-19-15-8-5-4-7-14(15)16/h4-5,7-8,13,19H,2-3,6,9-12H2,1H3/b18-17+
chemicalCompound:standardIn...	VFWPRCOQHSJKRK-ISLYRVAYSA-N
chemicalCompound:canonicalS...	CN1CCCCC/C/1=N\CCSc2c[nH]c3ccccc23
chemicalCompound:molecularF...	C17 H23 N3 S
chemicalCompound:moleculeId	124101
chemicalCompound:mwFreebase	301.45
chemicalCompound:alogp	3.491
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	56.69
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.598
chemicalCompound:acdLogD	2.599
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	301.45
chemicalCompound:acdMostBpk...	12.008
chemicalCompound:chemblId	CHEMBL80985
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224101
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:143825, activity:143826, activity:143827, activity:143828, activity:143829