885698

Source:http://linkedlifedata.com/resource/chembl/compound/885698

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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/C20H27N3O4/c1-16-3-2-4-17(13-16)14-22-9-10-23(19(22)25)15-18(24)21-7-5-20(6-8-21)26-11-12-27-20/h2-4,13H,5-12,14-15H2,1H3
chemicalCompound:standardIn...	JSUNFCMTLBNFNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(CN2CCN(CC(=O)N3CCC4(CC3)OCCO4)C2=O)c1
chemicalCompound:molecularF...	C20H27N3O4
chemicalCompound:moleculeId	885698
chemicalCompound:mwFreebase	373.446
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	62.32
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.064
chemicalCompound:acdLogD	2.064
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.446
chemicalCompound:acdMostBpk...	0.007
chemicalCompound:chemblId	CHEMBL1461814
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:985698
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:4216864, activity:6645293, activity:6909808, activity:7469492