547063

Source:http://linkedlifedata.com/resource/chembl/compound/547063

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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:668760
chemicalCompound:standardIn...	InChI=1S/C22H20F2N2O3.ClH/c1-11-3-4-13(7-12(11)2)25-9-16-18(23)8-15-20(19(16)24)26(14-5-6-14)10-17(21(15)27)22(28)29;/h3-4,7-8,10,14,25H,5-6,9H2,1-2H3,(H,28,29);1H
chemicalCompound:standardIn...	JRHDVQHBOWQLTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccc(NCc2c(F)cc3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O)cc1C
chemicalCompound:molecularF...	C22H21ClF2N2O3
chemicalCompound:moleculeId	547063
chemicalCompound:mwFreebase	398.403
chemicalCompound:alogp	4.421
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	69.64
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	6.373
chemicalCompound:acdLogP	1.853
chemicalCompound:acdLogD	0.789
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	434.864
chemicalCompound:acdMostBpk...	3.656
chemicalCompound:chemblId	CHEMBL553329
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:647063
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:732786, activity:732787, activity:732788, activity:732789, activity:732790, activity:732791