56174

Source:http://linkedlifedata.com/resource/chembl/compound/56174

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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/C22H26N4O/c1-14-13-24-22(23-11-6-12-25(2)3)19-17-10-9-15-16(7-5-8-18(15)27)21(17)26(4)20(14)19/h5,7-10,13,27H,6,11-12H2,1-4H3,(H,23,24)
chemicalCompound:standardIn...	WVDIVDUSBDRROV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCNc1ncc(C)c2c1c3ccc4c(O)cccc4c3n2C
chemicalCompound:molecularF...	C22 H26 N4 O
chemicalCompound:moleculeId	56174
chemicalCompound:mwFreebase	362.468
chemicalCompound:alogp	3.607
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	53.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.591
chemicalCompound:acdLogP	4.484
chemicalCompound:acdLogD	0.629
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	362.468
chemicalCompound:acdMostBpk...	11.713
chemicalCompound:chemblId	CHEMBL289412
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:156174
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:1275177, activity:1275178, activity:1275179, activity:1275180