161642

Source:http://linkedlifedata.com/resource/chembl/compound/161642

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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/C14H21N5O3/c15-11(14(20)18-9-2-1-3-10-18)6-8-17-13-12(19(21)22)5-4-7-16-13/h4-5,7,11H,1-3,6,8-10,15H2,(H,16,17)/t11-/m0/s1
chemicalCompound:standardIn...	YITLXTODFKLRMW-NSHDSACASA-N
chemicalCompound:canonicalS...	N[C@@H](CCNc1ncccc1[N+](=O)[O-])C(=O)N2CCCCC2
chemicalCompound:molecularF...	C14 H21 N5 O3
chemicalCompound:moleculeId	161642
chemicalCompound:mwFreebase	307.348
chemicalCompound:alogp	0
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	117.07
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1.736
chemicalCompound:acdLogD	1.476
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	307.348
chemicalCompound:acdMostBpk...	8.165
chemicalCompound:chemblId	CHEMBL316487
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:261642
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:966814, activity:966815, activity:966816