494834

Source:http://linkedlifedata.com/resource/chembl/compound/494834

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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/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
chemicalCompound:standardIn...	PIQCTGMSNWUMAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(CC1)c2ccc3nc([nH]c3c2)C4=C(N)c5c(F)cccc5NC4=O
chemicalCompound:molecularF...	C21H21FN6O
chemicalCompound:moleculeId	494834
chemicalCompound:mwFreebase	392.429
chemicalCompound:alogp	1.781
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.28
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.44
chemicalCompound:acdLogP	1.31
chemicalCompound:acdLogD	0.801
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	392.429
chemicalCompound:acdMostBpk...	7.701
chemicalCompound:chemblId	CHEMBL522892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:594834
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	CHIR-258
chemicalCompound:activity	activity:2250148, activity:2250183, activity:2250231, activity:2250255, activity:2250290, activity:2250291, activity:2250292, activity:2250293, activity:2250294, activity:2250295, activity:2250296, activity:2250297, activity:2250298, activity:2250299, activity:2250300, activity:2250301, activity:2250302, activity:2250303, activity:2250304, activity:2250305, activity:2250306, activity:2250307, activity:2250308, activity:2250309, activity:2250310, activity:2250311, activity:2250312, activity:2250313, activity:2250314, activity:2250315, activity:2250316, activity:2250317, activity:2250318, activity:2250319, activity:2250320, activity:2250321, activity:2250322, activity:2250323, activity:2250324, activity:2250325, activity:2250326, activity:2250327, activity:2250328, activity:2250329, activity:2250330, activity:2890811, activity:2890849, activity:2890887, activity:2890925, activity:2890963, activity:2891001, activity:2891039, activity:2891077, activity:2891115, activity:2891153, activity:2891191, activity:2891229, activity:2891250, activity:2891288, activity:2891326, activity:2891364, activity:2891401, activity:2891439, activity:2891477, activity:2891515