551777

Source:http://linkedlifedata.com/resource/chembl/compound/551777

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:672697
chemicalCompound:standardIn...	InChI=1S/C16H23NO2.ClH/c1-12(2)19-15(18)16(10-14(16)11-17(3)4)13-8-6-5-7-9-13;/h5-9,12,14H,10-11H2,1-4H3;1H/t14?,16-;/m1./s1
chemicalCompound:standardIn...	HCEJJXRJUNFIPA-BXWZNKKMSA-N
chemicalCompound:canonicalS...	Cl.CC(C)OC(=O)[C@]1(CC1CN(C)C)c2ccccc2
chemicalCompound:molecularF...	C16H24ClNO2
chemicalCompound:moleculeId	551777
chemicalCompound:mwFreebase	261.359
chemicalCompound:alogp	2.726
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.973
chemicalCompound:acdLogD	0.76
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	297.82
chemicalCompound:acdMostBpk...	9.671
chemicalCompound:chemblId	CHEMBL540564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:651777
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:453979, activity:453980, activity:453981, activity:453982, activity:453983