960356

Source:http://linkedlifedata.com/resource/chembl/compound/960356

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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/C17H16F3N5O4/c18-16(19,20)17(28-11-3-1-2-4-12(11)29-17)24-15(26)23-13-9-14(22-10-21-13)25-5-7-27-8-6-25/h1-4,9-10H,5-8H2,(H2,21,22,23,24,26)
chemicalCompound:standardIn...	KPYMUIGOLOGEBW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	FC(F)(F)C1(NC(=O)Nc2cc(ncn2)N3CCOCC3)Oc4ccccc4O1
chemicalCompound:molecularF...	C17H16F3N5O4
chemicalCompound:moleculeId	960356
chemicalCompound:mwFreebase	411.335
chemicalCompound:alogp	2.853
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	97.84
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.286
chemicalCompound:acdLogP	4.349
chemicalCompound:acdLogD	4.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.335
chemicalCompound:acdMostBpk...	5.223
chemicalCompound:chemblId	CHEMBL1536472
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1060356
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:3711055, activity:3737468, activity:3875083, activity:3926723, activity:4126066, activity:4302037, activity:4779517, activity:4910033, activity:4996603, activity:5353391, activity:5530450, activity:5579408, activity:5704712, activity:6733596, activity:6804784, activity:7494615, activity:10106349