72518

Source:http://linkedlifedata.com/resource/chembl/compound/72518

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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/C19H21F3N2O3S/c1-28(26,27)16-6-4-14(5-7-16)17-9-15(19(20,21)22)10-23-18(17)24-8-2-3-13(11-24)12-25/h4-7,9-10,13,25H,2-3,8,11-12H2,1H3
chemicalCompound:standardIn...	KVUASUDFPOEMLR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CS(=O)(=O)c1ccc(cc1)c2cc(cnc2N3CCCC(CO)C3)C(F)(F)F
chemicalCompound:molecularF...	C19 H21 F3 N2 O3 S
chemicalCompound:moleculeId	72518
chemicalCompound:mwFreebase	414.442
chemicalCompound:alogp	2.763
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	78.88
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.558
chemicalCompound:acdLogD	1.555
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.442
chemicalCompound:acdMostBpk...	5.203
chemicalCompound:chemblId	CHEMBL49394
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:172518
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:488297, activity:488298, activity:488299, activity:488300, activity:488301, activity:488302, activity:488303, activity:488304