651171

Source:http://linkedlifedata.com/resource/chembl/compound/651171

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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/C18H28N2/c1-14-7-5-8-15(2)18(14)19-13-16-9-6-12-20-11-4-3-10-17(16)20/h5,7-8,16-17,19H,3-4,6,9-13H2,1-2H3/t16-,17+/m0/s1
chemicalCompound:standardIn...	FIMLOFSRPSXWDG-DLBZAZTESA-N
chemicalCompound:canonicalS...	Cc1cccc(C)c1NC[C@H]2CCCN3CCCC[C@H]23
chemicalCompound:molecularF...	C18H28N2
chemicalCompound:moleculeId	651171
chemicalCompound:mwFreebase	272.428
chemicalCompound:alogp	4.251
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	15.27
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.589
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	272.428
chemicalCompound:acdMostBpk...	10.274
chemicalCompound:chemblId	CHEMBL1170239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:751171
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:3359263, activity:3359284, activity:3370413, activity:3370452, activity:3370466