631161

Source:http://linkedlifedata.com/resource/chembl/compound/631161

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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/C21H18F3N3OS/c1-3-4-18-19(28)27(20(29)26(18)15-8-5-13(2)6-9-15)16-10-7-14(12-25)17(11-16)21(22,23)24/h5-11,18H,3-4H2,1-2H3
chemicalCompound:standardIn...	QXZFJKVKRATIPW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCC1N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(C)cc3
chemicalCompound:molecularF...	C21H18F3N3OS
chemicalCompound:moleculeId	631161
chemicalCompound:mwFreebase	417.447
chemicalCompound:alogp	6.695
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	79.43
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.622
chemicalCompound:acdLogD	5.622
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	417.447
chemicalCompound:chemblId	CHEMBL1086578
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:731161
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:3302327