508484

Source:http://linkedlifedata.com/resource/chembl/compound/508484

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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/C19H18N4OS3/c1-10-11(2)26-17(13(10)7-20)23-15(24)8-25-18-16-12-5-3-4-6-14(12)27-19(16)22-9-21-18/h9H,3-6,8H2,1-2H3,(H,23,24)
chemicalCompound:standardIn...	APXROEPYXMESTN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1sc(NC(=O)CSc2ncnc3sc4CCCCc4c23)c(C#N)c1C
chemicalCompound:molecularF...	C19H18N4OS3
chemicalCompound:moleculeId	508484
chemicalCompound:mwFreebase	414.567
chemicalCompound:alogp	4.509
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	160.44
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.546
chemicalCompound:acdLogP	3.268
chemicalCompound:acdLogD	3.268
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.567
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL488952
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:608484
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:2344097