1175614

Source:http://linkedlifedata.com/resource/chembl/compound/1175614

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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/C16H21NO3/c1-12(2)7-5-8-13(3)11-15-17-20-16(4,19-15)14-9-6-10-18-14/h6-7,9-11H,5,8H2,1-4H3/b13-11+
chemicalCompound:standardIn...	SGVBERBDQKMVLJ-ACCUITESSA-N
chemicalCompound:canonicalS...	CC(=CCC\C(=C\C1=NOC(C)(O1)c2occc2)\C)C
chemicalCompound:molecularF...	C16H21NO3
chemicalCompound:moleculeId	1175614
chemicalCompound:mwFreebase	275.343
chemicalCompound:alogp	4.436
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	43.96
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.603
chemicalCompound:acdLogD	4.603
chemicalCompound:fullMwt	275.343
chemicalCompound:chemblId	CHEMBL1828923
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1275614
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:6364326, activity:6364338, activity:6364394