296407

Source:http://linkedlifedata.com/resource/chembl/compound/296407

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:329475
chemicalCompound:standardIn...	InChI=1S/C20H19FN4O4S.Mg/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29;/h3-9,26H,1-2,10-12H2,(H,23,27);/q;+2
chemicalCompound:standardIn...	KTBDJFFJSTXOGW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[Mg+2].Oc1c(nc(N2CCCCS2(=O)=O)c3cccnc13)C(=O)NCc4ccc(F)cc4
chemicalCompound:molecularF...	C20 H19 F N4 O4 S . Mg
chemicalCompound:moleculeId	296407
chemicalCompound:mwFreebase	430.453
chemicalCompound:alogp	2.166
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	120.87
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.394
chemicalCompound:acdLogP	3.034
chemicalCompound:acdLogD	0.347
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	454.758
chemicalCompound:acdMostBpk...	0.228
chemicalCompound:chemblId	CHEMBL361632
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:396407
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:1400705, activity:1400706