676872

Source:http://linkedlifedata.com/resource/chembl/compound/676872

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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:158999
chemicalCompound:standardIn...	InChI=1S/C15H21NO.ClH/c1-17-14-7-4-5-12(11-14)15-9-8-13-6-2-3-10-16(13)15;/h4-5,7,11,13,15H,2-3,6,8-10H2,1H3;1H/t13-,15-;/m1./s1
chemicalCompound:standardIn...	YXWDCGXVOZMBLI-SWYZXDRTSA-N
chemicalCompound:canonicalS...	Cl.COc1cccc(c1)[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C15H22ClNO
chemicalCompound:moleculeId	676872
chemicalCompound:mwFreebase	231.333
chemicalCompound:alogp	3.322
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.517
chemicalCompound:acdLogD	0.154
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	267.794
chemicalCompound:acdMostBpk...	9.849
chemicalCompound:chemblId	CHEMBL1202921
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776872
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:61524, activity:61525