50

Source:http://linkedlifedata.com/resource/chembl/compound/50

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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/C44H48N4/c1-2-4-6-12-30-46-42-28-32-48(44-16-10-8-14-40(42)44)34-38-25-21-36(22-26-38)18-17-35-19-23-37(24-20-35)33-47-31-27-41(45-29-11-5-3-1)39-13-7-9-15-43(39)47/h7-10,13-16,19-28,31-32H,1-6,11-12,17-18,29-30,33-34H2/p+2/b45-41+,46-42+
chemicalCompound:standardIn...	PWKOKPCVDQPYGH-UWXPRHHASA-P
chemicalCompound:canonicalS...	C1CCCCCNc2cc[n+](Cc3ccc(CCc4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)cc3)c7ccccc27
chemicalCompound:molecularF...	C44 H50 N4
chemicalCompound:moleculeId	50
chemicalCompound:mwFreebase	634.895
chemicalCompound:alogp	11.852
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	31.82
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.579
chemicalCompound:acdLogD	5.579
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	634.895
chemicalCompound:chemblId	CHEMBL266885
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100050
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:269016, activity:269017, activity:477726, activity:477727