52

Source:http://linkedlifedata.com/resource/chembl/compound/52

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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/C33H26N4/c34-30-13-15-36(32-7-3-1-5-28(30)32)20-22-9-11-26-24(17-22)19-25-18-23(10-12-27(25)26)21-37-16-14-31(35)29-6-2-4-8-33(29)37/h1-18,34-35H,19-21H2/p+2
chemicalCompound:standardIn...	USOMLPZSQWAHIS-UHFFFAOYSA-P
chemicalCompound:canonicalS...	Nc1cc[n+](Cc2ccc3c(Cc4cc(C[n+]5ccc(N)c6ccccc56)ccc34)c2)c7ccccc17
chemicalCompound:molecularF...	C33 H28 N4
chemicalCompound:moleculeId	52
chemicalCompound:mwFreebase	480.602
chemicalCompound:alogp	6.775
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	59.8
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.85
chemicalCompound:acdLogD	-0.85
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	480.602
chemicalCompound:chemblId	CHEMBL6356
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100052
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:301115, activity:301116, activity:488689, activity:488690