824477

Source:http://linkedlifedata.com/resource/chembl/compound/824477

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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/C12H10F3N5OS/c1-6-18-9(12(13,14)15)8(22-6)11(21)20-19-10(16)7-4-2-3-5-17-7/h2-5H,1H3,(H2,16,19)(H,20,21)
chemicalCompound:standardIn...	XACRVKFXGBOELJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(c(s1)C(=O)NN=C(N)c2ccccn2)C(F)(F)F
chemicalCompound:molecularF...	C12H10F3N5OS
chemicalCompound:moleculeId	824477
chemicalCompound:mwFreebase	329.301
chemicalCompound:alogp	1.582
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	121.5
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.608
chemicalCompound:acdLogP	0.113
chemicalCompound:acdLogD	0.113
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.301
chemicalCompound:acdMostBpk...	3.114
chemicalCompound:chemblId	CHEMBL1400593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:924477
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:3699959, activity:3705253, activity:3759578, activity:3798341, activity:3862732, activity:3926910, activity:4076737, activity:4589952, activity:4606959, activity:4674624, activity:4794234, activity:4961902, activity:5004793, activity:5370877, activity:5471054, activity:5628978, activity:5779670, activity:5839380, activity:5953298, activity:5974085, activity:6485265, activity:6895838, activity:6904471, activity:7194547, activity:7342717, activity:7532086