425372

Source:http://linkedlifedata.com/resource/chembl/compound/425372

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:425372_Targinine_OTHER
chemicalCompound:standardIn...	InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
chemicalCompound:standardIn...	NTNWOCRCBQPEKQ-YFKPBYRVSA-N
chemicalCompound:canonicalS...	CNC(=N)NCCC[C@H](N)C(=O)O
chemicalCompound:molecularF...	C7H16N4O2
chemicalCompound:moleculeId	425372
chemicalCompound:mwFreebase	188.228
chemicalCompound:alogp	-3.625
chemicalCompound:hba	4
chemicalCompound:hbd	5
chemicalCompound:psa	111.23
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.497
chemicalCompound:acdLogP	-0.082
chemicalCompound:acdLogD	-3.548
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	188.228
chemicalCompound:acdMostBpk...	14.063
chemicalCompound:chemblId	CHEMBL256147
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:525372
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	L-NMMA
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:28229
chemicalCompound:activity	activity:50143, activity:50144, activity:50145, activity:50146, activity:50147, activity:86288, activity:86289, activity:86290, activity:86291, activity:86292, activity:88393, activity:88394, activity:88395, activity:88396, activity:88397, activity:167686, activity:167687, activity:167688, activity:167689, activity:167690, activity:167691, activity:192944, activity:192945, activity:192946, activity:285217, activity:285218, activity:285219, activity:308858, activity:308859, activity:308860, activity:308861, activity:308862, activity:324042, activity:324043, activity:324044, activity:324045, activity:324046, activity:324047, activity:463984, activity:463985, activity:463986, activity:463987, activity:463988, activity:504549, activity:504550, activity:504551, activity:516295, activity:516296, activity:516297, activity:516298, activity:660579, activity:660580, activity:703158, activity:703159, activity:763938, activity:763939, activity:795040, activity:857198, activity:857199, activity:857200, activity:857201, activity:857202, activity:936232