1000120

Source:http://linkedlifedata.com/resource/chembl/compound/1000120

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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/C14H17N3OS/c1-3-17(4-2)11-7-5-10(6-8-11)9-12-13(18)16-14(15)19-12/h5-9H,3-4H2,1-2H3,(H2,15,16,18)/b12-9-
chemicalCompound:standardIn...	MMEQBAAOGVIZST-XFXZXTDPSA-N
chemicalCompound:canonicalS...	CCN(CC)c1ccc(\C=C\2/SC(=NC2=O)N)cc1
chemicalCompound:molecularF...	C14H17N3OS
chemicalCompound:moleculeId	1000120
chemicalCompound:mwFreebase	275.369
chemicalCompound:alogp	2.856
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	83.99
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.736
chemicalCompound:acdLogD	3.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	275.369
chemicalCompound:acdMostBpk...	4.769
chemicalCompound:chemblId	CHEMBL1576236
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1100120
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:3634848, activity:3788722, activity:3834552, activity:4338566, activity:4562647, activity:4692138, activity:5333480, activity:5502819, activity:5504070, activity:5672217, activity:5853264, activity:5865863, activity:5897810, activity:6454431, activity:6720975, activity:7215149, activity:7400061, activity:9808337, activity:10668307