852905

Source:http://linkedlifedata.com/resource/chembl/compound/852905

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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/C16H18N2OS/c19-16(18-11-5-1-2-6-12-18)10-9-15-17-13-7-3-4-8-14(13)20-15/h3-4,7-10H,1-2,5-6,11-12H2/b10-9+
chemicalCompound:standardIn...	PCQHZNNHFKREMQ-MDZDMXLPSA-N
chemicalCompound:canonicalS...	O=C(\C=C\c1nc2ccccc2s1)N3CCCCCC3
chemicalCompound:molecularF...	C16H18N2OS
chemicalCompound:moleculeId	852905
chemicalCompound:mwFreebase	286.392
chemicalCompound:alogp	3.575
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	61.44
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.898
chemicalCompound:acdLogD	2.898
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.392
chemicalCompound:acdMostBpk...	0.932
chemicalCompound:chemblId	CHEMBL1429021
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:952905
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:3732512, activity:3829429, activity:3852967, activity:4170968, activity:4365774, activity:4496332, activity:4724959, activity:4900105, activity:5075489, activity:5424957, activity:5551808, activity:5575899, activity:5650318, activity:5853209, activity:5865808, activity:5891034, activity:6509534, activity:7103499, activity:7420160, activity:7451271