13312

Source:http://linkedlifedata.com/resource/chembl/compound/13312

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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/C16H20N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-5,8,10,13,15,17H,6-7,9H2,1-2H3/t10-,13-,15-/m1/s1
chemicalCompound:standardIn...	VLMZMRDOMOGGFA-WDBKCZKBSA-N
chemicalCompound:canonicalS...	C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
chemicalCompound:molecularF...	C16 H20 N2
chemicalCompound:moleculeId	13312
chemicalCompound:mwFreebase	240.343
chemicalCompound:alogp	3.304
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	19.03
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.957
chemicalCompound:acdLogD	1.669
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	240.343
chemicalCompound:acdMostBpk...	8.377
chemicalCompound:chemblId	CHEMBL13866
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:113312
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:733412, activity:733413, activity:1100820, activity:1100821, activity:1100822, activity:1144719, activity:1144720, activity:1144721, activity:1144722, activity:1144723, activity:1144724