845956

Source:http://linkedlifedata.com/resource/chembl/compound/845956

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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/C15H15FN4OS/c1-9-6-10(2)20-14(17-9)18-15(19-20)22-8-11-4-5-13(21-3)12(16)7-11/h4-7H,8H2,1-3H3
chemicalCompound:standardIn...	ZGJCRHSKPOJNBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(CSc2nc3nc(C)cc(C)n3n2)cc1F
chemicalCompound:molecularF...	C15H15FN4OS
chemicalCompound:moleculeId	845956
chemicalCompound:mwFreebase	318.369
chemicalCompound:alogp	3.641
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	77.61
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.098
chemicalCompound:acdLogD	3.098
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	318.369
chemicalCompound:acdMostBpk...	0.424
chemicalCompound:chemblId	CHEMBL1422072
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:945956
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:4297344, activity:5797703, activity:6462474, activity:6527385, activity:6610225, activity:6950321, activity:9967594