160112

Source:http://linkedlifedata.com/resource/chembl/compound/160112

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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/C14H19N5O6S3/c1-18(2)7-8-25-12(20)10-5-4-6-11(9-10)28(23,24)17-13-19(3)16-14(26-13)27(15,21)22/h4-6,9H,7-8H2,1-3H3,(H2,15,21,22)/b17-13+
chemicalCompound:standardIn...	ZHYYNYNDPMTVTM-GHRIWEEISA-N
chemicalCompound:canonicalS...	CN(C)CCOC(=O)c1cccc(c1)S(=O)(=O)\N=C/2\SC(=NN2C)S(=O)(=O)N
chemicalCompound:molecularF...	C14 H19 N5 O6 S3
chemicalCompound:moleculeId	160112
chemicalCompound:mwFreebase	449.526
chemicalCompound:alogp	0.745
chemicalCompound:hba	11
chemicalCompound:hbd	1
chemicalCompound:psa	193.86
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.695
chemicalCompound:acdLogP	1.056
chemicalCompound:acdLogD	0.088
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	449.526
chemicalCompound:acdMostBpk...	8.122
chemicalCompound:chemblId	CHEMBL318028
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:260112
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:112975, activity:112976, activity:112977