46

Source:http://linkedlifedata.com/resource/chembl/compound/46

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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/C34H30N4/c35-31-19-21-37(33-7-3-1-5-29(31)33)23-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)24-38-22-20-32(36)30-6-2-4-8-34(30)38/h1-8,11-22,35-36H,9-10,23-24H2/p+2
chemicalCompound:standardIn...	SSYLZSFCNUGCEN-UHFFFAOYSA-P
chemicalCompound:canonicalS...	Nc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(N)c5ccccc45)cc3)cc2)c6ccccc16
chemicalCompound:molecularF...	C34 H32 N4
chemicalCompound:moleculeId	46
chemicalCompound:mwFreebase	496.645
chemicalCompound:alogp	7.543
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	59.8
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.61
chemicalCompound:acdLogD	-0.61
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.645
chemicalCompound:chemblId	CHEMBL429017
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100046
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:270328, activity:270329, activity:484034, activity:484035, activity:912837, activity:912838