705351

Source:http://linkedlifedata.com/resource/chembl/compound/705351

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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:5925
chemicalCompound:standardIn...	InChI=1S/C11H16N2O.ClH/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;/h2-5,12H,6-9H2,1H3;1H
chemicalCompound:standardIn...	DDMVHGULHRJOEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1ccccc1N2CCNCC2
chemicalCompound:molecularF...	C11H17ClN2O
chemicalCompound:moleculeId	705351
chemicalCompound:mwFreebase	192.258
chemicalCompound:alogp	1.397
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	24.5
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.238
chemicalCompound:acdLogD	-0.061
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	228.718
chemicalCompound:acdMostBpk...	8.976
chemicalCompound:chemblId	CHEMBL1256365
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805351
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:3490163, activity:3490867, activity:3623018, activity:3945972, activity:3987914, activity:4278393, activity:4512823, activity:4537572, activity:4868059, activity:5715825, activity:6696210, activity:7102382, activity:7513102