631041

Source:http://linkedlifedata.com/resource/chembl/compound/631041

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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/C19H13F3N6OS/c1-18(2)16(29)27(14-6-3-11(10-23)15(9-14)19(20,21)22)17(30)28(18)13-7-4-12(5-8-13)25-26-24/h3-9H,1-2H3
chemicalCompound:standardIn...	IZRCHGAEVRCMKJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)N(C(=S)N(C1=O)c2ccc(C#N)c(c2)C(F)(F)F)c3ccc(cc3)N=[N+]=[N-]
chemicalCompound:molecularF...	C19H13F3N6OS
chemicalCompound:moleculeId	631041
chemicalCompound:mwFreebase	430.406
chemicalCompound:alogp	6.231
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	129.17
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.583
chemicalCompound:acdLogD	4.583
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	430.406
chemicalCompound:chemblId	CHEMBL1085212
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:731041
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:3302310, activity:3302320