783065

Source:http://linkedlifedata.com/resource/chembl/compound/783065

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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:156585
chemicalCompound:standardIn...	InChI=1S/C19H30N2O.ClH/c1-2-3-4-5-6-7-8-13-22-17-9-10-19-18(14-17)16(11-12-20)15-21-19;/h9-10,14-15,21H,2-8,11-13,20H2,1H3;1H
chemicalCompound:standardIn...	WVSBVULKJPWRBT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCCCCCCCOc1ccc2[nH]cc(CCN)c2c1
chemicalCompound:molecularF...	C19H31ClN2O
chemicalCompound:moleculeId	783065
chemicalCompound:mwFreebase	302.454
chemicalCompound:alogp	5.143
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	51.04
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.393
chemicalCompound:acdLogD	3.227
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	338.915
chemicalCompound:acdMostBpk...	9.483
chemicalCompound:chemblId	CHEMBL1359181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:883065
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:3802327, activity:3934784, activity:3958225, activity:4009880, activity:4069798, activity:4360883, activity:4463169, activity:4515140, activity:4539394, activity:4693492, activity:4785661, activity:4912569, activity:4994875, activity:5344704, activity:5581507, activity:5792001