1045879

Source:http://linkedlifedata.com/resource/chembl/compound/1045879

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C17H21NO3/c1-20-16-9-5-8-15(12-18-10-11-19)17(16)21-13-14-6-3-2-4-7-14/h2-9,18-19H,10-13H2,1H3
chemicalCompound:standardIn...	IOSCBARNLLHKFD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(CNCCO)c1OCc2ccccc2
chemicalCompound:molecularF...	C17H21NO3
chemicalCompound:moleculeId	1045879
chemicalCompound:mwFreebase	287.354
chemicalCompound:alogp	2.378
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.965
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	287.354
chemicalCompound:acdMostBpk...	8.223
chemicalCompound:chemblId	CHEMBL1622928
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1145879
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No