374059

Source:http://linkedlifedata.com/resource/chembl/compound/374059

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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/C24H35ClN2O/c1-18(15-24(2,3)4)11-13-27-14-12-21(17-27)26-16-22-9-10-23(28-22)19-5-7-20(25)8-6-19/h5-10,18,21,26H,11-17H2,1-4H3
chemicalCompound:standardIn...	HVSUVGONQPOCEW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(CCN1CCC(C1)NCc2oc(cc2)c3ccc(Cl)cc3)CC(C)(C)C
chemicalCompound:molecularF...	C24 H35 Cl N2 O
chemicalCompound:moleculeId	374059
chemicalCompound:mwFreebase	403
chemicalCompound:alogp	6.023
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	28.41
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.606
chemicalCompound:acdLogD	5.206
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	403
chemicalCompound:acdMostBpk...	9.772
chemicalCompound:chemblId	CHEMBL225073
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:474059
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:1842938