15687

Source:http://linkedlifedata.com/resource/chembl/compound/15687

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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/C18H23Cl2N3O2/c1-12(23-6-5-21-11-23)15-7-13(19)8-16(20)17(15)25-10-14(24)9-22-18(2,3)4/h5-8,11,14,22,24H,1,9-10H2,2-4H3
chemicalCompound:standardIn...	ICCKDLSKTSZQCC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)NCC(O)COc1c(Cl)cc(Cl)cc1C(=C)n2ccnc2
chemicalCompound:molecularF...	C18 H23 Cl2 N3 O2
chemicalCompound:moleculeId	15687
chemicalCompound:mwFreebase	384.3
chemicalCompound:alogp	3.091
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	59.31
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.712
chemicalCompound:acdLogP	3.956
chemicalCompound:acdLogD	1.859
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	384.3
chemicalCompound:acdMostBpk...	9.424
chemicalCompound:chemblId	CHEMBL15408
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:115687
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:88970, activity:88971, activity:88972