1328982

Source:http://linkedlifedata.com/resource/chembl/compound/1328982

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C12H28N4O4/c1-5-13-17-9-3-11-19-15-7-2-8-16-20-12-4-10-18-14-6-1/h13-16H,1-12H2
chemicalCompound:standardIn...	CIUIUEVECAVHDL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C1CNOCCCONCCCNOCCCONC1
chemicalCompound:molecularF...	C12H28N4O4
chemicalCompound:moleculeId	1328982
chemicalCompound:mwFreebase	292.375
chemicalCompound:alogp	-2.242
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	85.04
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-0.004
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	292.375
chemicalCompound:acdMostBpk...	5.358
chemicalCompound:chemblId	CHEMBL2007731
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1428982
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No