1291026

Source:http://linkedlifedata.com/resource/chembl/compound/1291026

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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/C21H20ClFN6O/c1-21(2,12-30)11-26-20-25-8-7-15(27-20)17-16(13-3-5-14(23)6-4-13)28-19-18(22)24-9-10-29(17)19/h3-10,30H,11-12H2,1-2H3,(H,25,26,27)
chemicalCompound:standardIn...	ICDHVAJOGIGIOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(CO)CNc1nccc(n1)c2c(nc3c(Cl)nccn23)c4ccc(F)cc4
chemicalCompound:molecularF...	C21H20ClFN6O
chemicalCompound:moleculeId	1291026
chemicalCompound:mwFreebase	426.875
chemicalCompound:alogp	3.747
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	88.23
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.518
chemicalCompound:acdLogD	2.518
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.875
chemicalCompound:acdMostBpk...	2.255
chemicalCompound:chemblId	CHEMBL1969735
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1391026
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:9507456, activity:9519385, activity:9520201, activity:9520467, activity:9520696, activity:9523729, activity:9524056, activity:9528966, activity:9532566, activity:9532798, activity:9533263, activity:9535959, activity:9536216, activity:9539855, activity:9544782, activity:9545018, activity:9545355, activity:9549308, activity:9552145, activity:9552498, activity:9552722, activity:9557262, activity:9557654, activity:9557796, activity:9561026, activity:9565300, activity:9565699, activity:9568767, activity:9570281, activity:9572140, activity:9573430, activity:9574775, activity:9574867, activity:9575139, activity:9575500, activity:9576146, activity:9577618, activity:9578170, activity:9578357, activity:9579596, activity:9580089, activity:9581654, activity:9582691, activity:9583089, activity:9583642, activity:9584509, activity:9584881, activity:9586638, activity:9587481, activity:9587701, activity:9589090, activity:9589232, activity:9589974, activity:9592279, activity:9593392, activity:9593479, activity:9594423, activity:9594750, activity:9595549, activity:9596002, activity:9596321, activity:9597651, activity:9597720, activity:9598806, activity:9600517, activity:9601241, activity:9601892