964690

Source:http://linkedlifedata.com/resource/chembl/compound/964690

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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/C19H26FN3O3S/c1-19(2,3)26-17(24)21-12-8-4-5-11-16-22-23-18(25-16)27-13-14-9-6-7-10-15(14)20/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,21,24)
chemicalCompound:standardIn...	BWGFQURNEVFLNK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)OC(=O)NCCCCCc1oc(SCc2ccccc2F)nn1
chemicalCompound:molecularF...	C19H26FN3O3S
chemicalCompound:moleculeId	964690
chemicalCompound:mwFreebase	395.491
chemicalCompound:alogp	4.453
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	102.55
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.878
chemicalCompound:acdLogP	3.741
chemicalCompound:acdLogD	3.741
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	395.491
chemicalCompound:chemblId	CHEMBL1540806
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1064690
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:4806761, activity:5440189, activity:5662790, activity:5898893, activity:6683005, activity:6929200, activity:7078568