15678

Source:http://linkedlifedata.com/resource/chembl/compound/15678

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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/C17H21Cl2N3O2/c1-11(2)21-8-13(23)9-24-17-15(19)5-4-14(18)16(17)12(3)22-7-6-20-10-22/h4-7,10-11,13,21,23H,3,8-9H2,1-2H3
chemicalCompound:standardIn...	DROIRVKNZDBEFR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCC(O)COc1c(Cl)ccc(Cl)c1C(=C)n2ccnc2
chemicalCompound:molecularF...	C17 H21 Cl2 N3 O2
chemicalCompound:moleculeId	15678
chemicalCompound:mwFreebase	370.274
chemicalCompound:alogp	2.886
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.71
chemicalCompound:acdLogP	3.444
chemicalCompound:acdLogD	1.807
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	370.274
chemicalCompound:acdMostBpk...	8.925
chemicalCompound:chemblId	CHEMBL15578
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115678
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:78502, activity:78503, activity:78504, activity:78505, activity:78506, activity:78507, activity:78508, activity:78509, activity:78510, activity:78511, activity:78512, activity:78513, activity:78514