904208

Source:http://linkedlifedata.com/resource/chembl/compound/904208

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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:1045879
chemicalCompound:standardIn...	InChI=1S/C17H21NO3.ClH/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;1H
chemicalCompound:standardIn...	OGLZMSMBCCASHE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.COc1cccc(CNCCO)c1OCc2ccccc2
chemicalCompound:molecularF...	C17H22ClNO3
chemicalCompound:moleculeId	904208
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	323.814
chemicalCompound:acdMostBpk...	8.223
chemicalCompound:chemblId	CHEMBL1480324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1004208
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:3730383, activity:4622876, activity:5331374, activity:6517796, activity:7466107