287272

Source:http://linkedlifedata.com/resource/chembl/compound/287272

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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/C24H35ClN2O2/c1-3-16(2)29-23-20(17-7-5-4-6-8-17)13-19(25)14-21(23)24(28)26-22-15-27-11-9-18(22)10-12-27/h13-14,16-18,22H,3-12,15H2,1-2H3,(H,26,28)
chemicalCompound:standardIn...	SWXPKOBGSPXSSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)Oc1c(cc(Cl)cc1C(=O)NC2CN3CCC2CC3)C4CCCCC4
chemicalCompound:molecularF...	C24 H35 Cl N2 O2
chemicalCompound:moleculeId	287272
chemicalCompound:mwFreebase	419
chemicalCompound:alogp	5.663
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	41.57
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.842
chemicalCompound:acdLogP	5.754
chemicalCompound:acdLogD	3.352
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	419
chemicalCompound:acdMostBpk...	9.579
chemicalCompound:chemblId	CHEMBL368992
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:387272
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:628603