513435

Source:http://linkedlifedata.com/resource/chembl/compound/513435

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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/C19H23N3O3/c1-4-10-20-16-12-15(14-8-6-13(3)7-9-14)22(25)17(16)18(23)21(11-5-2)19(20)24/h6-9,12,25H,4-5,10-11H2,1-3H3
chemicalCompound:standardIn...	RDEZSVZHKUMXND-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2cc(c3ccc(C)cc3)n(O)c2C1=O
chemicalCompound:molecularF...	C19H23N3O3
chemicalCompound:moleculeId	513435
chemicalCompound:mwFreebase	341.404
chemicalCompound:alogp	2.14
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.78
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.998
chemicalCompound:acdLogP	4.683
chemicalCompound:acdLogD	1.552
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	341.404
chemicalCompound:chemblId	CHEMBL457659
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613435
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:2472320, activity:2472350, activity:2472380, activity:2472427, activity:2472455