15684

Source:http://linkedlifedata.com/resource/chembl/compound/15684

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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/C19H26ClN3O2/c1-13(2)19(23-8-7-21-12-23)17-9-15(20)5-6-18(17)25-11-16(24)10-22-14(3)4/h5-9,12,14,16,22,24H,10-11H2,1-4H3
chemicalCompound:standardIn...	CUKJUMZIHFFAJF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1ccc(Cl)cc1C(=C(C)C)n2ccnc2
chemicalCompound:molecularF...	C19 H26 Cl N3 O2
chemicalCompound:moleculeId	15684
chemicalCompound:mwFreebase	363.882
chemicalCompound:alogp	3.07
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.767
chemicalCompound:acdLogP	3.623
chemicalCompound:acdLogD	1.546
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	363.882
chemicalCompound:acdMostBpk...	9.386
chemicalCompound:chemblId	CHEMBL278877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115684
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:98106, activity:98107, activity:98108