1122589

Source:http://linkedlifedata.com/resource/chembl/compound/1122589

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:995
chemicalCompound:standardIn...	InChI=1S/C12H13N5O2.ClH/c18-17(19)9-1-2-10-11(7-9)15-12(8-14-10)16-5-3-13-4-6-16;/h1-2,7-8,13H,3-6H2;1H
chemicalCompound:standardIn...	SGCMUVQWHHPOHG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.[O-][N+](=O)c1ccc2ncc(nc2c1)N3CCNCC3
chemicalCompound:molecularF...	C12H14ClN5O2
chemicalCompound:moleculeId	1122589
chemicalCompound:mwFreebase	259.264
chemicalCompound:alogp	1.311
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	86.87
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	0.716
chemicalCompound:acdLogD	-0.153
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	295.725
chemicalCompound:acdMostBpk...	8.239
chemicalCompound:chemblId	CHEMBL1744018
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222589
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:1032025, activity:1032026, activity:1032027, activity:1032028, activity:1032029, activity:1032030