215122

Source:http://linkedlifedata.com/resource/chembl/compound/215122

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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/C10H16ClN4/c1-15(2)7-5-14(6-8-15)10-4-3-9(11)12-13-10/h3-4H,5-8H2,1-2H3/q+1
chemicalCompound:standardIn...	NNCZVCVLBMARHS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	C[N+]1(C)CCN(CC1)c2ccc(Cl)nn2
chemicalCompound:molecularF...	C10 H16 Cl N4
chemicalCompound:moleculeId	215122
chemicalCompound:mwFreebase	227.714
chemicalCompound:alogp	0.389
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-2.291
chemicalCompound:acdLogD	-2.291
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	227.714
chemicalCompound:acdMostBpk...	3.058
chemicalCompound:chemblId	CHEMBL128350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:315122
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:380207