676869

Source:http://linkedlifedata.com/resource/chembl/compound/676869

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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:158983
chemicalCompound:standardIn...	InChI=1S/C15H21N.ClH/c1-12-6-2-3-8-14(12)15-10-9-13-7-4-5-11-16(13)15;/h2-3,6,8,13,15H,4-5,7,9-11H2,1H3;1H/t13-,15-;/m1./s1
chemicalCompound:standardIn...	XRKRBVLSNSKHRP-SWYZXDRTSA-N
chemicalCompound:canonicalS...	Cl.Cc1ccccc1[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C15H22ClN
chemicalCompound:moleculeId	676869
chemicalCompound:mwFreebase	215.334
chemicalCompound:alogp	3.825
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.187
chemicalCompound:acdLogD	0.871
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	251.795
chemicalCompound:acdMostBpk...	9.792
chemicalCompound:chemblId	CHEMBL1202918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776869
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:66728, activity:66729