960

Source:http://linkedlifedata.com/resource/chembl/compound/960

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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/C5H10N2/c6-5-3-1-2-4-7-5/h1-4H2,(H2,6,7)
chemicalCompound:standardIn...	DHGUMNJVFYRSIG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	N=C1CCCCN1
chemicalCompound:molecularF...	C5H10N2
chemicalCompound:moleculeId	960
chemicalCompound:mwFreebase	98.1463
chemicalCompound:alogp	0.139
chemicalCompound:hba	1
chemicalCompound:hbd	2
chemicalCompound:psa	35.88
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.181
chemicalCompound:acdLogD	-1.819
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	98.1463
chemicalCompound:acdMostBpk...	12.359
chemicalCompound:chemblId	CHEMBL269058
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100960
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:39824
chemicalCompound:activity	activity:84479, activity:84480, activity:84481, activity:84482, activity:84483, activity:494953, activity:494954, activity:494955, activity:494956, activity:494957, activity:494958, activity:1518004, activity:1518005, activity:1518006, activity:1518007, activity:1518008, activity:3615864, activity:3685308, activity:5995772, activity:6012318, activity:6028636, activity:6066312, activity:6069549