15936

Source:http://linkedlifedata.com/resource/chembl/compound/15936

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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/C21H29N3O4/c1-6-27-21(26)20-16(5)24(13-23-20)15(4)18-9-7-8-10-19(18)28-12-17(25)11-22-14(2)3/h7-10,13-14,17,22,25H,4,6,11-12H2,1-3,5H3
chemicalCompound:standardIn...	AMRDNKZCKDKZFE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ncn(C(=C)c2ccccc2OCC(O)CNC(C)C)c1C
chemicalCompound:molecularF...	C21 H29 N3 O4
chemicalCompound:moleculeId	15936
chemicalCompound:mwFreebase	387.473
chemicalCompound:alogp	2.335
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	85.61
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.836
chemicalCompound:acdLogP	3.092
chemicalCompound:acdLogD	1.019
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	387.473
chemicalCompound:acdMostBpk...	9.4
chemicalCompound:chemblId	CHEMBL276514
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115936
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:79601, activity:79602, activity:79603