613490

Source:http://linkedlifedata.com/resource/chembl/compound/613490

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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/C16H16F3N3O2S/c17-16(18,19)11-3-1-2-4-13(11)24-10-5-7-22(8-6-10)15-21-12(9-25-15)14(20)23/h1-4,9-10H,5-8H2,(H2,20,23)
chemicalCompound:standardIn...	FOCNQDSZOCWDPV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1csc(n1)N2CCC(CC2)Oc3ccccc3C(F)(F)F
chemicalCompound:molecularF...	C16H16F3N3O2S
chemicalCompound:moleculeId	613490
chemicalCompound:mwFreebase	371.377
chemicalCompound:alogp	2.966
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	96.69
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.829
chemicalCompound:acdLogD	2.828
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.377
chemicalCompound:acdMostBpk...	4.312
chemicalCompound:chemblId	CHEMBL1076698
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:713490
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:3191796, activity:3191797