47700

Source:http://linkedlifedata.com/resource/chembl/compound/47700

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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/C18H19N/c1-2-7-14(8-3-1)17-13-19-12-6-11-18(19)16-10-5-4-9-15(16)17/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
chemicalCompound:standardIn...	KJHWRRVSXANANB-ZWKOTPCHSA-N
chemicalCompound:canonicalS...	C1C[C@H]2N(C1)C[C@@H](c3ccccc3)c4ccccc24
chemicalCompound:molecularF...	C18H19N
chemicalCompound:moleculeId	47700
chemicalCompound:mwFreebase	249.35
chemicalCompound:alogp	3.819
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	3.24
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.843
chemicalCompound:acdLogD	1.727
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	249.35
chemicalCompound:acdMostBpk...	8.486
chemicalCompound:chemblId	CHEMBL35184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:147700
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:719207, activity:719208, activity:719209, activity:719210, activity:719211, activity:719212, activity:719213, activity:719214, activity:719215, activity:723655, activity:723656, activity:723657, activity:723658, activity:723659, activity:723660, activity:723661, activity:723662, activity:723663, activity:726018, activity:726019, activity:726020, activity:726021, activity:726022, activity:726023, activity:726024, activity:726025, activity:726026, activity:726027, activity:726028, activity:726029