546419

Source:http://linkedlifedata.com/resource/chembl/compound/546419

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:666751
chemicalCompound:standardIn...	InChI=1S/C13H15ClFN3.ClH/c1-17-4-6-18(7-5-17)13(9-16)10-2-3-11(14)12(15)8-10;/h2-3,8,13H,4-7H2,1H3;1H
chemicalCompound:standardIn...	QNZHIJVFHKCHEN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN1CCN(CC1)C(C#N)c2ccc(Cl)c(F)c2
chemicalCompound:molecularF...	C13H16Cl2FN3
chemicalCompound:moleculeId	546419
chemicalCompound:mwFreebase	267.73
chemicalCompound:alogp	2.596
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	30.27
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.822
chemicalCompound:acdLogD	1.641
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.191
chemicalCompound:acdMostBpk...	7.06
chemicalCompound:chemblId	CHEMBL544101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646419
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:327141, activity:327142