48

Source:http://linkedlifedata.com/resource/chembl/compound/48

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C42H46N4/c1(3-5-17-29-43-39-27-31-45(33-35-19-9-7-10-20-35)41-25-15-13-23-37(39)41)2-4-6-18-30-44-40-28-32-46(34-36-21-11-8-12-22-36)42-26-16-14-24-38(40)42/h7-16,19-28,31-32H,1-6,17-18,29-30,33-34H2/p+2
chemicalCompound:standardIn...	JFTHHZLVWUKENE-UHFFFAOYSA-P
chemicalCompound:canonicalS...	C(CCCCCNc1cc[n+](Cc2ccccc2)c3ccccc13)CCCCNc4cc[n+](Cc5ccccc5)c6ccccc46
chemicalCompound:molecularF...	C42 H48 N4
chemicalCompound:moleculeId	48
chemicalCompound:mwFreebase	608.857
chemicalCompound:alogp	11.251
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	31.82
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.685
chemicalCompound:acdLogD	3.685
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	608.857
chemicalCompound:chemblId	CHEMBL6212
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100048
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:224457, activity:224458, activity:269018, activity:269019