853727

Source:http://linkedlifedata.com/resource/chembl/compound/853727

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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/C12H14Cl2N2OS/c13-10-4-3-8(6-11(10)14)16-12(18)15-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H2,15,16,18)
chemicalCompound:standardIn...	ZGZISVFFENLHNY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=S)NCC2CCCO2)cc1Cl
chemicalCompound:molecularF...	C12H14Cl2N2OS
chemicalCompound:moleculeId	853727
chemicalCompound:mwFreebase	305.223
chemicalCompound:alogp	4.199
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	65.38
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.334
chemicalCompound:acdLogP	2.637
chemicalCompound:acdLogD	2.637
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.223
chemicalCompound:acdMostBpk...	0.855
chemicalCompound:chemblId	CHEMBL1429843
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:953727
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:3666764, activity:3884899, activity:4114256, activity:4315559, activity:4570959, activity:4670006, activity:4971757, activity:5383598, activity:5597251, activity:6427393, activity:6637731, activity:6838811, activity:7072899, activity:7278494, activity:7383181