38

Source:http://linkedlifedata.com/resource/chembl/compound/38

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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/C42H44N4/c1-2-4-6-12-28-44-40-26-30-46(42-16-10-8-14-38(40)42)32-34-19-23-36(24-20-34)35-21-17-33(18-22-35)31-45-29-25-39(43-27-11-5-3-1)37-13-7-9-15-41(37)45/h7-10,13-26,29-30H,1-6,11-12,27-28,31-32H2/p+2/b43-39+,44-40+
chemicalCompound:standardIn...	NVFMGTWRSCHMNV-UUHCYPSGSA-P
chemicalCompound:canonicalS...	C1CCCCCNc2cc[n+](Cc3ccc(cc3)c4ccc(C[n+]5ccc(NCCCC1)c6ccccc56)cc4)c7ccccc27
chemicalCompound:molecularF...	C42 H46 N4
chemicalCompound:moleculeId	38
chemicalCompound:mwFreebase	606.841
chemicalCompound:alogp	10.939
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	31.82
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.297
chemicalCompound:acdLogD	5.297
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	606.841
chemicalCompound:chemblId	CHEMBL6266
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100038
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:271634, activity:271635, activity:491083, activity:491084