705122

Source:http://linkedlifedata.com/resource/chembl/compound/705122

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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:2207
chemicalCompound:standardIn...	InChI=1S/C11H14N2O.ClH/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11;/h2-3,6-7,13H,4-5,12H2,1H3;1H
chemicalCompound:standardIn...	TXVAYRSEKRMEIF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccc2[nH]cc(CCN)c2c1
chemicalCompound:molecularF...	C11H15ClN2O
chemicalCompound:moleculeId	705122
chemicalCompound:mwFreebase	190.242
chemicalCompound:alogp	1.534
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	51.04
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.317
chemicalCompound:acdLogD	-0.846
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	226.703
chemicalCompound:acdMostBpk...	9.471
chemicalCompound:chemblId	CHEMBL1256138
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805122
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:3473030, activity:3775303, activity:4358716, activity:4753860, activity:4913279, activity:4941938, activity:5037373, activity:5570041, activity:5701566, activity:7433254