788435

Source:http://linkedlifedata.com/resource/chembl/compound/788435

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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:33583
chemicalCompound:standardIn...	InChI=1S/C17H22N4O.2ClH/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21;;/h2-6,13H,7-12H2,1H3,(H,18,20);2*1H
chemicalCompound:standardIn...	GNUCGROXDZMCJI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3
chemicalCompound:molecularF...	C17H24Cl2N4O
chemicalCompound:moleculeId	788435
chemicalCompound:mwFreebase	298.383
chemicalCompound:alogp	2.819
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	50.28
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.041
chemicalCompound:acdLogD	1.923
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.305
chemicalCompound:acdMostBpk...	6.795
chemicalCompound:chemblId	CHEMBL1364551
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:888435
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:51040
chemicalCompound:activity	activity:4969705, activity:5038758, activity:9342493