761844

Source:http://linkedlifedata.com/resource/chembl/compound/761844

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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:9333
chemicalCompound:standardIn...	InChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
chemicalCompound:standardIn...	PXGRMZYJAOQPNZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O.Cl.Nc1c2CCCCc2nc3ccccc13
chemicalCompound:molecularF...	C13H17ClN2O
chemicalCompound:moleculeId	761844
chemicalCompound:mwFreebase	198.264
chemicalCompound:alogp	2.79
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	38.9
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.561
chemicalCompound:acdLogD	0.507
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	252.74
chemicalCompound:acdMostBpk...	9.642
chemicalCompound:chemblId	CHEMBL1337960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:861844
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:4020914, activity:4638012, activity:4990208, activity:5530101, activity:5633019, activity:5992316, activity:6023697, activity:6026935, activity:6029868, activity:6037295, activity:6484905, activity:6842306, activity:6941684, activity:7164539