438728

Source:http://linkedlifedata.com/resource/chembl/compound/438728

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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/C16H22N4O/c1-11-12-7-3-4-8-13(12)18-16(17-11)19-14-9-5-6-10-20(2)15(14)21/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H2,17,18,19)
chemicalCompound:standardIn...	CJPGCACCPJLCFS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1NC(=Nc2ccccc12)NC3CCCCN(C)C3=O
chemicalCompound:molecularF...	C16 H22 N4 O
chemicalCompound:moleculeId	438728
chemicalCompound:mwFreebase	286.372
chemicalCompound:alogp	1.656
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	56.73
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-0.142
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.372
chemicalCompound:acdMostBpk...	8.453
chemicalCompound:chemblId	CHEMBL403103
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:538728
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:2088062, activity:2088085