77579

Source:http://linkedlifedata.com/resource/chembl/compound/77579

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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/C17H21NO2/c1-18-7-6-17-10-13(20)4-5-14(17)16(18)8-11-2-3-12(19)9-15(11)17/h2-3,9,14,16,19H,4-8,10H2,1H3/t14-,16?,17?/m1/s1
chemicalCompound:standardIn...	DRLCTBKVUWSSIT-ODIFPOPNSA-N
chemicalCompound:canonicalS...	CN1CCC23CC(=O)CC[C@@H]2C1Cc4ccc(O)cc34
chemicalCompound:molecularF...	C17 H21 N O2
chemicalCompound:moleculeId	77579
chemicalCompound:mwFreebase	271.354
chemicalCompound:alogp	2.026
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	40.54
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.046
chemicalCompound:acdLogP	2.653
chemicalCompound:acdLogD	1.397
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	271.354
chemicalCompound:acdMostBpk...	8.751
chemicalCompound:chemblId	CHEMBL299149
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:177579
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:893483, activity:893484, activity:909492