685861

Source:http://linkedlifedata.com/resource/chembl/compound/685861

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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/C17H24N2O3/c1-13(20)19-16(12-22-10-9-14-7-8-14)17(21)18-11-15-5-3-2-4-6-15/h2-6,14,16H,7-12H2,1H3,(H,18,21)(H,19,20)/t16-/m1/s1
chemicalCompound:standardIn...	BJTNEJSVABZDOP-MRXNPFEDSA-N
chemicalCompound:canonicalS...	CC(=O)N[C@H](COCCC1CC1)C(=O)NCc2ccccc2
chemicalCompound:molecularF...	C17H24N2O3
chemicalCompound:moleculeId	685861
chemicalCompound:mwFreebase	304.384
chemicalCompound:alogp	1.23
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	67.42
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.138
chemicalCompound:acdLogD	2.138
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	304.384
chemicalCompound:chemblId	CHEMBL1214012
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:785861
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:3401424, activity:3401456, activity:3401474, activity:3401487, activity:3401508