965862

Source:http://linkedlifedata.com/resource/chembl/compound/965862

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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/C17H12FN5OS/c18-13-7-3-4-8-14(13)23-15(20-21-17(23)25)10-22-16(24)12-6-2-1-5-11(12)9-19-22/h1-9H,10H2,(H,21,25)
chemicalCompound:standardIn...	KCUSGQADKDQMIU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1n2c(S)nnc2CN3N=Cc4ccccc4C3=O
chemicalCompound:molecularF...	C17H12FN5OS
chemicalCompound:moleculeId	965862
chemicalCompound:mwFreebase	353.373
chemicalCompound:alogp	3.089
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	102.18
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.999
chemicalCompound:acdLogD	0.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.373
chemicalCompound:acdMostBpk...	5.814
chemicalCompound:chemblId	CHEMBL1541978
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1065862
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:3894745, activity:4280461, activity:5040270, activity:5370683, activity:5743081, activity:6718381, activity:6818719, activity:6874575, activity:6984272, activity:7474486, activity:7532865