335079

Source:http://linkedlifedata.com/resource/chembl/compound/335079

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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/C25H31N3O/c29-24-25(28(19-26-24)21-11-5-2-6-12-21)15-17-27(18-16-25)23-14-8-7-13-22(23)20-9-3-1-4-10-20/h1-6,9-12,22-23H,7-8,13-19H2,(H,26,29)/t22-,23-/m0/s1
chemicalCompound:standardIn...	XMWPUEPUQVYCIC-GOTSBHOMSA-N
chemicalCompound:canonicalS...	O=C1NCN(c2ccccc2)C13CCN(CC3)[C@H]4CCCC[C@H]4c5ccccc5
chemicalCompound:molecularF...	C25 H31 N3 O
chemicalCompound:moleculeId	335079
chemicalCompound:mwFreebase	389.533
chemicalCompound:alogp	4.243
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.714
chemicalCompound:acdLogD	3.173
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	389.533
chemicalCompound:acdMostBpk...	8.948
chemicalCompound:chemblId	CHEMBL383610
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:435079
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:1665818, activity:1665844, activity:1665864, activity:1665894, activity:1665914, activity:1666865, activity:1666866, activity:1666867, activity:1666903, activity:1666928, activity:1666953, activity:1666976, activity:1666977, activity:1753905, activity:1753906, activity:1753907, activity:1754048