705989

Source:http://linkedlifedata.com/resource/chembl/compound/705989

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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:80542
chemicalCompound:standardIn...	InChI=1S/C23H25F3N2OS.ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;/h1-2,4-8,16,29H,3,9-15H2;1H/b18-5-;
chemicalCompound:standardIn...	ZQAWQVWCKYGMNE-CVIBNLPVSA-N
chemicalCompound:canonicalS...	Cl.OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1
chemicalCompound:molecularF...	C23H26ClF3N2OS
chemicalCompound:moleculeId	705989
chemicalCompound:mwFreebase	434.518
chemicalCompound:alogp	4.819
chemicalCompound:hba	1
chemicalCompound:hbd	6
chemicalCompound:psa	52.01
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.667
chemicalCompound:acdLogD	3.437
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.979
chemicalCompound:acdMostBpk...	7.046
chemicalCompound:chemblId	CHEMBL1256995
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805989
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:3473282, activity:3482677, activity:3483461, activity:3483542, activity:3483623, activity:3483703, activity:3483784, activity:3484567, activity:4316755, activity:5334945, activity:5391323, activity:5499278, activity:5518395, activity:5602847, activity:5669406, activity:5726446, activity:5819873, activity:6529022, activity:6979868, activity:7122748, activity:7285923