183524

Source:http://linkedlifedata.com/resource/chembl/compound/183524

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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/C19H20FN5O/c20-16-8-15-17(26)12(9-22-14-4-2-1-3-5-14)10-23-18(15)24-19(16)25-7-6-13(21)11-25/h1-5,8,10,13,22H,6-7,9,11,21H2,(H,23,24,26)
chemicalCompound:standardIn...	LGRUUJPWKKABJI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCN(C1)c2nc3ncc(CNc4ccccc4)c(O)c3cc2F
chemicalCompound:molecularF...	C19 H20 F N5 O
chemicalCompound:moleculeId	183524
chemicalCompound:mwFreebase	353.393
chemicalCompound:alogp	2.199
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	87.3
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.727
chemicalCompound:acdLogP	2.221
chemicalCompound:acdLogD	-0.989
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	353.393
chemicalCompound:acdMostBpk...	8.889
chemicalCompound:chemblId	CHEMBL114240
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:283524
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:542091