183546

Source:http://linkedlifedata.com/resource/chembl/compound/183546

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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/C25H22N4O2S/c1-19-13-22(11-12-25(19)32(30,31)24-5-3-2-4-6-24)28-16-23-15-27-18-29(23)17-21-9-7-20(14-26)8-10-21/h2-13,15,18,28H,16-17H2,1H3
chemicalCompound:standardIn...	QTPUIMUFPJCBFZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(NCc2cncn2Cc3ccc(cc3)C#N)ccc1S(=O)(=O)c4ccccc4
chemicalCompound:molecularF...	C25 H22 N4 O2 S
chemicalCompound:moleculeId	183546
chemicalCompound:mwFreebase	442.533
chemicalCompound:alogp	4.444
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	96.16
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.66
chemicalCompound:acdLogD	1.642
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	442.533
chemicalCompound:acdMostBpk...	5.97
chemicalCompound:chemblId	CHEMBL109303
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283546
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:562995, activity:562996