297142

Source:http://linkedlifedata.com/resource/chembl/compound/297142

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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/C35H39N5/c1-2-23-40(24-11-21-36-34-26-13-3-7-17-30(26)38-31-18-8-4-14-27(31)34)25-12-22-37-35-28-15-5-9-19-32(28)39-33-20-10-6-16-29(33)35/h2-5,7-9,13-15,17-19H,1,6,10-12,16,20-25H2,(H,36,38)(H,37,39)
chemicalCompound:standardIn...	FHSBQSAFCXMGMH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C=CCN(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5ccccc5nc6ccccc46
chemicalCompound:molecularF...	C35 H39 N5
chemicalCompound:moleculeId	297142
chemicalCompound:mwFreebase	529.718
chemicalCompound:alogp	7.206
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	53.08
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.914
chemicalCompound:acdLogD	3.524
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	529.718
chemicalCompound:acdMostBpk...	9.044
chemicalCompound:chemblId	CHEMBL180267
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:397142
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:1405590, activity:1405591, activity:1405592