613624

Source:http://linkedlifedata.com/resource/chembl/compound/613624

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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/C18H17F3N4OS2/c1-11-23-24-16(27-11)15-10-22-17(28-15)25-8-6-12(7-9-25)26-14-5-3-2-4-13(14)18(19,20)21/h2-5,10,12H,6-9H2,1H3
chemicalCompound:standardIn...	QMSZVDLJWFWYRD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nnc(s1)c2cnc(s2)N3CCC(CC3)Oc4ccccc4C(F)(F)F
chemicalCompound:molecularF...	C18H17F3N4OS2
chemicalCompound:moleculeId	613624
chemicalCompound:mwFreebase	426.479
chemicalCompound:alogp	3.945
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	107.61
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.083
chemicalCompound:acdLogD	4.083
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.479
chemicalCompound:acdMostBpk...	3.812
chemicalCompound:chemblId	CHEMBL1081827
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:713624
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:3191816, activity:3191817