213290

Source:http://linkedlifedata.com/resource/chembl/compound/213290

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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/C33H41N5/c1-38(22-10-20-34-32-24-12-2-6-16-28(24)36-29-17-7-3-13-25(29)32)23-11-21-35-33-26-14-4-8-18-30(26)37-31-19-9-5-15-27(31)33/h2,4,6,8,12,14,16,18H,3,5,7,9-11,13,15,17,19-23H2,1H3,(H,34,36)(H,35,37)
chemicalCompound:standardIn...	DYTNXFSVOOZIHV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(CCCNc1c2CCCCc2nc3ccccc13)CCCNc4c5CCCCc5nc6ccccc46
chemicalCompound:molecularF...	C33H41N5
chemicalCompound:moleculeId	213290
chemicalCompound:mwFreebase	507.712
chemicalCompound:alogp	6.772
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	53.08
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.132
chemicalCompound:acdLogD	2.031
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	507.712
chemicalCompound:acdMostBpk...	9.411
chemicalCompound:chemblId	CHEMBL338755
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:313290
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:136156, activity:136157, activity:1405581, activity:1405582, activity:1405583, activity:1405584, activity:1405585, activity:2341297, activity:2341314, activity:2341332