317507

Source:http://linkedlifedata.com/resource/chembl/compound/317507

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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:317507_JNJ-7706621_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
chemicalCompound:standardIn...	KDKUVYLMPJIGKA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(Nc2ccc(cc2)S(=O)(=O)N)nn1C(=O)c3c(F)cccc3F
chemicalCompound:molecularF...	C15H12F2N6O3S
chemicalCompound:moleculeId	317507
chemicalCompound:mwFreebase	394.356
chemicalCompound:alogp	2.226
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	154.37
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.795
chemicalCompound:acdLogP	2.868
chemicalCompound:acdLogD	2.866
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	394.356
chemicalCompound:acdMostBpk...	1.127
chemicalCompound:chemblId	CHEMBL191003
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:417507
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	JNJ-7706621
chemicalCompound:activity	activity:1489422, activity:1489423, activity:1489424, activity:1489425, activity:1489426, activity:1489427, activity:1489428, activity:1489429, activity:1489430, activity:1489431, activity:1489432, activity:1489433, activity:1489434, activity:1489435, activity:1489436, activity:1489437, activity:1489438, activity:1489439, activity:1489440, activity:1489441, activity:1489442, activity:1489443, activity:1489444, activity:1489445, activity:1489530, activity:1489531, activity:1489532, activity:1489533, activity:1489534, activity:1489535, activity:1489536, activity:1489537, activity:1489538, activity:1489539, activity:1489540, activity:1489541, activity:1489542, activity:1489543, activity:1489544, activity:1489545, activity:1489546, activity:1489547, activity:1489548, activity:1489549, activity:1489550, activity:1489551, activity:1737557, activity:1737559, activity:1737561, activity:1737562, activity:1737563, activity:1737565, activity:1737567, activity:1737570, activity:1737573, activity:1737577, activity:1737579, activity:1737581, activity:1737587, activity:1737591, activity:1737594, activity:1737598, activity:1737599, activity:1737601