544330

Source:http://linkedlifedata.com/resource/chembl/compound/544330

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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:667063
chemicalCompound:standardIn...	InChI=1S/C16H22F3N.ClH/c1-3-9-20(10-4-2)15-11-13(15)12-7-5-6-8-14(12)16(17,18)19;/h5-8,13,15H,3-4,9-11H2,1-2H3;1H
chemicalCompound:standardIn...	BCFQEYDGZQLISS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCC)C1CC1c2ccccc2C(F)(F)F
chemicalCompound:molecularF...	C16H23ClF3N
chemicalCompound:moleculeId	544330
chemicalCompound:mwFreebase	285.348
chemicalCompound:alogp	4.848
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.265
chemicalCompound:acdLogD	3.038
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	321.809
chemicalCompound:acdMostBpk...	8.607
chemicalCompound:chemblId	CHEMBL544471
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644330
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:573164