676874

Source:http://linkedlifedata.com/resource/chembl/compound/676874

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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:159024
chemicalCompound:standardIn...	InChI=1S/C17H25N.ClH/c1-2-5-14-7-9-15(10-8-14)17-12-11-16-6-3-4-13-18(16)17;/h7-10,16-17H,2-6,11-13H2,1H3;1H/t16-,17-;/m1./s1
chemicalCompound:standardIn...	VNYORYSGWNAVJT-GBNZRNLASA-N
chemicalCompound:canonicalS...	Cl.CCCc1ccc(cc1)[C@H]2CC[C@H]3CCCCN23
chemicalCompound:molecularF...	C17H26ClN
chemicalCompound:moleculeId	676874
chemicalCompound:mwFreebase	243.387
chemicalCompound:alogp	4.737
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.307
chemicalCompound:acdLogD	1.89
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	279.848
chemicalCompound:acdMostBpk...	9.916
chemicalCompound:chemblId	CHEMBL1202923
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:776874
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:44990, activity:44991