779956

Source:http://linkedlifedata.com/resource/chembl/compound/779956

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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/C20H23N3O4/c24-19(21-14-16-4-3-12-26-16)15-7-9-22(10-8-15)20(25)23-11-13-27-18-6-2-1-5-17(18)23/h1-6,12,15H,7-11,13-14H2,(H,21,24)
chemicalCompound:standardIn...	ZVJHOVKGGLUYHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(NCc1occc1)C2CCN(CC2)C(=O)N3CCOc4ccccc34
chemicalCompound:molecularF...	C20H23N3O4
chemicalCompound:moleculeId	779956
chemicalCompound:mwFreebase	369.414
chemicalCompound:alogp	1.605
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	75.02
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.414
chemicalCompound:acdMostBpk...	1.277
chemicalCompound:chemblId	CHEMBL1356072
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:879956
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:3664345, activity:3973941, activity:4045055, activity:4653976