396134

Source:http://linkedlifedata.com/resource/chembl/compound/396134

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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/C24H23F3N2OS/c1-16(15-30)28-13-17-6-8-18(9-7-17)14-29-20-4-2-3-5-22(20)31-23-11-10-19(12-21(23)29)24(25,26)27/h2-12,16,28,30H,13-15H2,1H3
chemicalCompound:standardIn...	XLBZAYNWHDBFKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CO)NCc1ccc(CN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)cc1
chemicalCompound:molecularF...	C24 H23 F3 N2 O S
chemicalCompound:moleculeId	396134
chemicalCompound:mwFreebase	444.512
chemicalCompound:alogp	5.775
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	60.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.086
chemicalCompound:acdLogD	3.699
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	444.512
chemicalCompound:acdMostBpk...	8.608
chemicalCompound:chemblId	CHEMBL234830
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496134
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:1962684, activity:1962721, activity:1962758, activity:1962795, activity:1962832, activity:1962870, activity:1962907