476462

Source:http://linkedlifedata.com/resource/chembl/compound/476462

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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:660623
chemicalCompound:standardIn...	InChI=1S/C16H21NO.ClH/c17-12-14-11-16(14)15-9-5-4-8-13(15)7-3-1-2-6-10-18;/h4-5,8-9,14,16,18H,1-2,6,10-12,17H2;1H/t14-,16+;/m1./s1
chemicalCompound:standardIn...	GHMWSEXOXIGBSO-XMZRARIVSA-N
chemicalCompound:canonicalS...	Cl.NC[C@H]1C[C@@H]1c2ccccc2C#CCCCCO
chemicalCompound:molecularF...	C16H22ClNO
chemicalCompound:moleculeId	476462
chemicalCompound:mwFreebase	243.344
chemicalCompound:alogp	2.676
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	46.25
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.407
chemicalCompound:acdLogD	-0.316
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	279.805
chemicalCompound:acdMostBpk...	10.358
chemicalCompound:chemblId	CHEMBL474230
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:576462
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:2273279, activity:2273284, activity:2273301, activity:2273320, activity:2273331, activity:2273332, activity:2283456, activity:2283474