290428

Source:http://linkedlifedata.com/resource/chembl/compound/290428

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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/C18H11ClF6N2O2S/c19-11-2-5-13(6-3-11)30-9-16(29,18(23,24)25)15(28)27-12-4-1-10(8-26)14(7-12)17(20,21)22/h1-7,29H,9H2,(H,27,28)
chemicalCompound:standardIn...	TVUHLLBDIVDDRC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(CSc1ccc(Cl)cc1)(C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F)C(F)(F)F
chemicalCompound:molecularF...	C18 H11 Cl F6 N2 O2 S
chemicalCompound:moleculeId	290428
chemicalCompound:mwFreebase	468.801
chemicalCompound:alogp	5.06
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	98.42
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.5
chemicalCompound:acdLogP	7.409
chemicalCompound:acdLogD	7.404
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	468.801
chemicalCompound:chemblId	CHEMBL175335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:390428
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:352431