987127

Source:http://linkedlifedata.com/resource/chembl/compound/987127

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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:1047871
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-14-6-8-16(9-7-14)20-13-17(19)21-15(2)12-18-10-4-3-5-11-18;/h6-9,15H,3-5,10-13H2,1-2H3;1H
chemicalCompound:standardIn...	GAHFNZOHTLDZSC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(CN1CCCCC1)OC(=O)COc2ccc(C)cc2
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	987127
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	3.44
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	38.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.681
chemicalCompound:acdLogD	2.991
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	7.992
chemicalCompound:chemblId	CHEMBL1563243
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1087127
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:4598811, activity:5423493, activity:6531940