253895

Source:http://linkedlifedata.com/resource/chembl/compound/253895

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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/C12H18N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)/t11-/m1/s1
chemicalCompound:standardIn...	VUUNELJIFNFWJC-LLVKDONJSA-N
chemicalCompound:canonicalS...	NCCCC[C@@H](N)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
chemicalCompound:molecularF...	C12 H18 N4 O3
chemicalCompound:moleculeId	253895
chemicalCompound:mwFreebase	266.296
chemicalCompound:alogp	0.288
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	126.96
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.873
chemicalCompound:acdLogP	1.227
chemicalCompound:acdLogD	-1.832
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	266.296
chemicalCompound:acdMostBpk...	10.462
chemicalCompound:chemblId	CHEMBL152565
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:353895
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:140292, activity:140293, activity:140294