13396

Source:http://linkedlifedata.com/resource/chembl/compound/13396

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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:13396_Propylamine_OTHER
chemicalCompound:standardIn...	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
chemicalCompound:standardIn...	WGYKZJWCGVVSQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN
chemicalCompound:molecularF...	C3H9N
chemicalCompound:moleculeId	13396
chemicalCompound:mwFreebase	59.1103
chemicalCompound:alogp	0.224
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	26.02
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.547
chemicalCompound:acdLogD	-2.324
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	59.1103
chemicalCompound:acdMostBpk...	10.658
chemicalCompound:chemblId	CHEMBL14409
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113396
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	PROPYLAMINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:39870
chemicalCompound:activity	activity:638779, activity:765605, activity:765606, activity:765607, activity:765608, activity:765609, activity:765610, activity:1077677, activity:1506065, activity:2572871