547122

Source:http://linkedlifedata.com/resource/chembl/compound/547122

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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:665550
chemicalCompound:standardIn...	InChI=1S/C17H16F2N2O3.ClH/c18-13-5-10-15(14(19)11(13)6-20-8-1-2-8)21(9-3-4-9)7-12(16(10)22)17(23)24;/h5,7-9,20H,1-4,6H2,(H,23,24);1H
chemicalCompound:standardIn...	IHCSMYTXEOVBML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.OC(=O)C1=CN(C2CC2)c3c(F)c(CNC4CC4)c(F)cc3C1=O
chemicalCompound:molecularF...	C17H17ClF2N2O3
chemicalCompound:moleculeId	547122
chemicalCompound:mwFreebase	334.317
chemicalCompound:alogp	-0.62
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	69.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.352
chemicalCompound:acdLogP	-0.212
chemicalCompound:acdLogD	-1.351
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	370.778
chemicalCompound:acdMostBpk...	6.864
chemicalCompound:chemblId	CHEMBL542719
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647122
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:743281, activity:743282, activity:743283, activity:743284, activity:743285, activity:743286