1034195

Source:http://linkedlifedata.com/resource/chembl/compound/1034195

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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/C15H21N5O4/c1-10-4-3-5-19(9-10)11-8-12(18(2)6-7-21)15(20(22)23)14-13(11)16-24-17-14/h8,10,21H,3-7,9H2,1-2H3
chemicalCompound:standardIn...	BWVGPYGHCGTTHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CCCN(C1)c2cc(N(C)CCO)c(c3nonc23)[N+](=O)[O-]
chemicalCompound:molecularF...	C15H21N5O4
chemicalCompound:moleculeId	1034195
chemicalCompound:mwFreebase	335.358
chemicalCompound:alogp	2.315
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	111.45
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.33
chemicalCompound:acdLogD	3.33
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	335.358
chemicalCompound:chemblId	CHEMBL1610311
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1134195
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:4037501, activity:4160783, activity:4349053, activity:4749487, activity:5419049, activity:5841300, activity:6677631, activity:6867466