336721

Source:http://linkedlifedata.com/resource/chembl/compound/336721

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:336721_A-437203_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)
chemicalCompound:standardIn...	KXVAICSRMHXLJN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1nc(cc(n1)C(F)(F)F)N2CCN(CCCSc3nccc(O)n3)CC2
chemicalCompound:molecularF...	C20 H27 F3 N6 O S
chemicalCompound:moleculeId	336721
chemicalCompound:mwFreebase	456.528
chemicalCompound:alogp	4.874
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	103.57
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.501
chemicalCompound:acdLogP	2.457
chemicalCompound:acdLogD	2.14
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	456.528
chemicalCompound:acdMostBpk...	6.891
chemicalCompound:chemblId	CHEMBL439338
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:436721
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:1675753, activity:1675772, activity:1675791, activity:6182429, activity:6182435