705379

Source:http://linkedlifedata.com/resource/chembl/compound/705379

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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:3097
chemicalCompound:standardIn...	InChI=1S/C8H17N3O2.ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);1H/t7-;/m0./s1
chemicalCompound:standardIn...	HJYWSATZDBEAOS-FJXQXJEOSA-N
chemicalCompound:canonicalS...	Cl.CC(=N)NCCCC[C@H](N)C(=O)O
chemicalCompound:molecularF...	C8H18ClN3O2
chemicalCompound:moleculeId	705379
chemicalCompound:mwFreebase	187.239
chemicalCompound:alogp	-3.164
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	99.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.523
chemicalCompound:acdLogP	-0.551
chemicalCompound:acdLogD	-4.032
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	223.7
chemicalCompound:acdMostBpk...	12.358
chemicalCompound:chemblId	CHEMBL1256393
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805379
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:3492293