173745

Source:http://linkedlifedata.com/resource/chembl/compound/173745

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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/C16H18N/c1-3-15-13-17(2)12-11-16(15)10-9-14-7-5-4-6-8-14/h4-13H,3H2,1-2H3/q+1/b10-9+
chemicalCompound:standardIn...	YMXDUZJAXHUDHB-MDZDMXLPSA-N
chemicalCompound:canonicalS...	CCc1c[n+](C)ccc1\C=C\c2ccccc2
chemicalCompound:molecularF...	C16 H18 N
chemicalCompound:moleculeId	173745
chemicalCompound:mwFreebase	224.321
chemicalCompound:alogp	4.363
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	3.88
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.562
chemicalCompound:acdLogD	0.562
chemicalCompound:fullMwt	224.321
chemicalCompound:chemblId	CHEMBL107632
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:273745
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:533486