396119

Source:http://linkedlifedata.com/resource/chembl/compound/396119

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H25F3N2OS/c1-15-13-26(14-16(2)28-15)10-5-11-27-18-6-3-4-7-20(18)29-21-9-8-17(12-19(21)27)22(23,24)25/h3-4,6-9,12,15-16H,5,10-11,13-14H2,1-2H3
chemicalCompound:standardIn...	VSXXARZLBDXALT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC(C)O1
chemicalCompound:molecularF...	C22 H25 F3 N2 O S
chemicalCompound:moleculeId	396119
chemicalCompound:mwFreebase	422.507
chemicalCompound:alogp	5.46
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	41.01
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.522
chemicalCompound:acdLogD	5.306
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.507
chemicalCompound:acdMostBpk...	7.235
chemicalCompound:chemblId	CHEMBL400027
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496119
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:1962697, activity:1962734, activity:1962771, activity:1962808, activity:1962845, activity:1962883, activity:1962920