1152040

Source:http://linkedlifedata.com/resource/chembl/compound/1152040

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:687
chemicalCompound:standardIn...	InChI=1S/C16H25NO.ClH/c1-3-10-17(11-4-2)14-8-9-15-13(12-14)6-5-7-16(15)18;/h5-7,14,18H,3-4,8-12H2,1-2H3;1H/t14-;/m0./s1
chemicalCompound:standardIn...	XWCUJMPFGVUNNH-UQKRIMTDSA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCC)[C@H]1CCc2c(O)cccc2C1
chemicalCompound:molecularF...	C16H26ClNO
chemicalCompound:moleculeId	1152040
chemicalCompound:mwFreebase	247.376
chemicalCompound:alogp	4.287
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.543
chemicalCompound:acdLogP	3.55
chemicalCompound:acdLogD	1.68
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	283.837
chemicalCompound:acdMostBpk...	9.387
chemicalCompound:chemblId	CHEMBL1788376
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1252040
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:908380, activity:908381, activity:908382