15574

Source:http://linkedlifedata.com/resource/chembl/compound/15574

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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/C19H27N3O2/c1-14-7-6-8-17(15(2)22-10-9-20-13-22)18(14)24-12-16(23)11-21-19(3,4)5/h6-10,13,16,21,23H,2,11-12H2,1,3-5H3
chemicalCompound:standardIn...	XMAYIBYRAZTZSW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(C(=C)n2ccnc2)c1OCC(O)CNC(C)(C)C
chemicalCompound:molecularF...	C19 H27 N3 O2
chemicalCompound:moleculeId	15574
chemicalCompound:mwFreebase	329.437
chemicalCompound:alogp	2.248
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.862
chemicalCompound:acdLogP	3.01
chemicalCompound:acdLogD	0.823
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	329.437
chemicalCompound:acdMostBpk...	9.495
chemicalCompound:chemblId	CHEMBL15231
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115574
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:89919, activity:89920, activity:89921, activity:89922, activity:89923, activity:89924, activity:89925, activity:89926