396130

Source:http://linkedlifedata.com/resource/chembl/compound/396130

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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/C26H26F3N3S/c1-30-12-14-31(15-13-30)17-19-6-8-20(9-7-19)18-32-22-4-2-3-5-24(22)33-25-11-10-21(16-23(25)32)26(27,28)29/h2-11,16H,12-15,17-18H2,1H3
chemicalCompound:standardIn...	KKDLQNPYMYKYAO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(Cc2ccc(CN3c4ccccc4Sc5ccc(cc35)C(F)(F)F)cc2)CC1
chemicalCompound:molecularF...	C26 H26 F3 N3 S
chemicalCompound:moleculeId	396130
chemicalCompound:mwFreebase	469.565
chemicalCompound:alogp	6.431
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	35.02
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.306
chemicalCompound:acdLogD	4.849
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	469.565
chemicalCompound:acdMostBpk...	7.591
chemicalCompound:chemblId	CHEMBL233220
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496130
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:1962688, activity:1962725, activity:1962762, activity:1962799, activity:1962836, activity:1962874, activity:1962911