704851

Source:http://linkedlifedata.com/resource/chembl/compound/704851

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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:22250
chemicalCompound:standardIn...	InChI=1S/C10H17N.ClH/c11-10-4-7-1-8(5-10)3-9(2-7)6-10;/h7-9H,1-6,11H2;1H/t7-,8+,9-,10-;
chemicalCompound:standardIn...	WOLHOYHSEKDWQH-SOVZANNPSA-N
chemicalCompound:canonicalS...	Cl.N[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2
chemicalCompound:molecularF...	C10H18ClN
chemicalCompound:moleculeId	704851
chemicalCompound:mwFreebase	151.249
chemicalCompound:alogp	1.495
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.442
chemicalCompound:acdLogD	-0.467
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	187.71
chemicalCompound:acdMostBpk...	10.756
chemicalCompound:chemblId	CHEMBL1255870
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:804851
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:3889924, activity:4649637, activity:5075315, activity:6462723, activity:6591354, activity:6658334, activity:6747211