471258

Source:http://linkedlifedata.com/resource/chembl/compound/471258

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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/C22H24N4O2/c23-22-24-15-19(21(25-22)18-5-1-2-6-20(18)27)16-7-9-17(10-8-16)28-14-13-26-11-3-4-12-26/h1-2,5-10,15,27H,3-4,11-14H2,(H2,23,24,25)
chemicalCompound:standardIn...	WSDSKZNAHYRASI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1ncc(c2ccc(OCCN3CCCC3)cc2)c(n1)c4ccccc4O
chemicalCompound:molecularF...	C22H24N4O2
chemicalCompound:moleculeId	471258
chemicalCompound:mwFreebase	376.452
chemicalCompound:alogp	3.632
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	84.5
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.083
chemicalCompound:acdLogP	2.157
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	376.452
chemicalCompound:acdMostBpk...	9.488
chemicalCompound:chemblId	CHEMBL517409
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:571258
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:2246271, activity:2246302