707230

Source:http://linkedlifedata.com/resource/chembl/compound/707230

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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/C20H30N2O4/c1-3-4-7-22-8-5-15(6-9-22)13-26-20(23)16-12-14(2)17(21)19-18(16)24-10-11-25-19/h12,15H,3-11,13,21H2,1-2H3
chemicalCompound:standardIn...	JJARXLKFWJOGGB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN1CCC(COC(=O)c2cc(C)c(N)c3OCCOc23)CC1
chemicalCompound:molecularF...	C20H30N2O4
chemicalCompound:moleculeId	707230
chemicalCompound:mwFreebase	362.463
chemicalCompound:alogp	3.228
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	74.02
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.885
chemicalCompound:acdLogD	1.147
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	362.463
chemicalCompound:acdMostBpk...	9.144
chemicalCompound:chemblId	CHEMBL1258222
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:807230
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:3502708, activity:3502725, activity:3502731