707800

Source:http://linkedlifedata.com/resource/chembl/compound/707800

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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/C19H27N3O6/c1-2-3-6-21-7-4-13(5-8-21)12-28-19(23)14-11-15(22(24)25)16(20)18-17(14)26-9-10-27-18/h11,13H,2-10,12,20H2,1H3
chemicalCompound:standardIn...	AEUGQTCHMZAAES-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN1CCC(COC(=O)c2cc(c(N)c3OCCOc23)[N+](=O)[O-])CC1
chemicalCompound:molecularF...	C19H27N3O6
chemicalCompound:moleculeId	707800
chemicalCompound:mwFreebase	393.434
chemicalCompound:alogp	2.636
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	119.83
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.912
chemicalCompound:acdLogD	2.225
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	393.434
chemicalCompound:acdMostBpk...	9.095
chemicalCompound:chemblId	CHEMBL1255606
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:807800
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:3502721, activity:3502746