55

Source:http://linkedlifedata.com/resource/chembl/compound/55

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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/C43H44N4/c1-2-4-6-12-24-45-41-22-26-47(43-16-10-8-14-39(41)43)31-33-18-20-37-35(28-33)29-34-27-32(17-19-36(34)37)30-46-25-21-40(44-23-11-5-3-1)38-13-7-9-15-42(38)46/h7-10,13-22,25-28H,1-6,11-12,23-24,29-31H2/p+2/b44-40+,45-41+
chemicalCompound:standardIn...	XTPOJZQDRYWGAK-QEXFJYHKSA-P
chemicalCompound:canonicalS...	C1CCCCCNc2cc[n+](Cc3ccc4c(Cc5cc(C[n+]6ccc(NCCCC1)c7ccccc67)ccc45)c3)c8ccccc28
chemicalCompound:molecularF...	C43 H46 N4
chemicalCompound:moleculeId	55
chemicalCompound:mwFreebase	618.852
chemicalCompound:alogp	11.084
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	31.82
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.372
chemicalCompound:acdLogD	5.372
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	618.852
chemicalCompound:chemblId	CHEMBL6207
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100055
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:267702, activity:267703