704823

Source:http://linkedlifedata.com/resource/chembl/compound/704823

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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:2724
chemicalCompound:standardIn...	InChI=1S/C14H21NO.ClH/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12;/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3;1H/t13-;/m1./s1
chemicalCompound:standardIn...	NRHUDETYKUBQJT-BTQNPOSSSA-N
chemicalCompound:canonicalS...	Cl.CCCN1CCC[C@H](C1)c2cccc(O)c2
chemicalCompound:molecularF...	C14H22ClNO
chemicalCompound:moleculeId	704823
chemicalCompound:mwFreebase	219.323
chemicalCompound:alogp	3.219
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.954
chemicalCompound:acdLogP	2.743
chemicalCompound:acdLogD	0.734
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	255.784
chemicalCompound:acdMostBpk...	9.438
chemicalCompound:chemblId	CHEMBL1255842
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804823
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PRECLAMOL HYDROCHLORIDE
chemicalCompound:activity	activity:945535, activity:945536, activity:945537, activity:3489301, activity:3489368, activity:3489399, activity:3490977