616516

Source:http://linkedlifedata.com/resource/chembl/compound/616516

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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/C25H31N5O/c1-4-10-19(11-5-1)24-23(22(31-29-24)18-30-16-8-3-9-17-30)21-14-15-26-25(28-21)27-20-12-6-2-7-13-20/h1,4-5,10-11,14-15,20H,2-3,6-9,12-13,16-18H2,(H,26,27,28)
chemicalCompound:standardIn...	KJRYEDFCBDQQSC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C(N1CCCCC1)c2onc(c3ccccc3)c2c4ccnc(NC5CCCCC5)n4
chemicalCompound:molecularF...	C25H31N5O
chemicalCompound:moleculeId	616516
chemicalCompound:mwFreebase	417.547
chemicalCompound:alogp	5.656
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	67.08
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.353
chemicalCompound:acdLogD	6.18
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	417.547
chemicalCompound:acdMostBpk...	7.076
chemicalCompound:chemblId	CHEMBL1080582
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:716516
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:3186214, activity:3186249