546947

Source:http://linkedlifedata.com/resource/chembl/compound/546947

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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:665948
chemicalCompound:standardIn...	InChI=1S/C24H35N5.4ClH/c25-14-5-7-17-29(19-9-15-26)18-8-6-16-27-24-20-10-1-3-12-22(20)28-23-13-4-2-11-21(23)24;;;;/h1-4,10-13H,5-9,14-19,25-26H2,(H,27,28);4*1H
chemicalCompound:standardIn...	KAHSHARECFRXHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Cl.Cl.Cl.NCCCCN(CCCN)CCCCNc1c2ccccc2nc3ccccc13
chemicalCompound:molecularF...	C24H39Cl4N5
chemicalCompound:moleculeId	546947
chemicalCompound:mwFreebase	393.568
chemicalCompound:alogp	2.989
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	80.2
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.239
chemicalCompound:acdLogD	-2.045
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	539.412
chemicalCompound:acdMostBpk...	10.466
chemicalCompound:chemblId	CHEMBL543174
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646947
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:905056, activity:905057