676873

Source:http://linkedlifedata.com/resource/chembl/compound/676873

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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:159023
chemicalCompound:standardIn...	InChI=1S/C16H23NO.ClH/c1-2-18-16-9-4-3-8-14(16)15-11-10-13-7-5-6-12-17(13)15;/h3-4,8-9,13,15H,2,5-7,10-12H2,1H3;1H/t13-,15-;/m1./s1
chemicalCompound:standardIn...	SOXCROVECHWOCX-SWYZXDRTSA-N
chemicalCompound:canonicalS...	Cl.CCOc1ccccc1[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C16H24ClNO
chemicalCompound:moleculeId	676873
chemicalCompound:mwFreebase	245.36
chemicalCompound:alogp	3.671
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	12.47
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.68
chemicalCompound:acdLogD	1.316
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	281.821
chemicalCompound:acdMostBpk...	9.85
chemicalCompound:chemblId	CHEMBL1202922
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776873
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:34147, activity:34148