1317104

Source:http://linkedlifedata.com/resource/chembl/compound/1317104

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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/C17H20N6/c18-13-5-1-2-6-15(13)23-17-20-9-7-14(22-17)12-10-21-16-11(12)4-3-8-19-16/h3-4,7-10,13,15H,1-2,5-6,18H2,(H,19,21)(H,20,22,23)
chemicalCompound:standardIn...	XPHWIERLJBFPFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC1CCCCC1Nc2nccc(n2)c3c[nH]c4ncccc34
chemicalCompound:molecularF...	C17H20N6
chemicalCompound:moleculeId	1317104
chemicalCompound:mwFreebase	308.381
chemicalCompound:alogp	2.271
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	92.51
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.168
chemicalCompound:acdLogP	1.07
chemicalCompound:acdLogD	-0.694
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	308.381
chemicalCompound:acdMostBpk...	9.953
chemicalCompound:chemblId	CHEMBL1995813
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1417104
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:9507431, activity:9519340, activity:9519943, activity:9520166, activity:9520438, activity:9520661, activity:9524025, activity:9532534, activity:9532755, activity:9532872, activity:9533237, activity:9535934, activity:9536193, activity:9536450, activity:9539831, activity:9544734, activity:9544995, activity:9545324, activity:9548213, activity:9549285, activity:9552475, activity:9552681, activity:9557236, activity:9557622, activity:9557765, activity:9560992, activity:9561355, activity:9565664, activity:9568733, activity:9570135, activity:9570255, activity:9572106, activity:9575104, activity:9576121, activity:9576468, activity:9577585, activity:9578130, activity:9578320, activity:9579560, activity:9581620, activity:9582658, activity:9583604, activity:9583890, activity:9584093, activity:9584478, activity:9584850, activity:9586593, activity:9589194, activity:9589952, activity:9591950, activity:9592257, activity:9593352, activity:9593452, activity:9594106, activity:9594382, activity:9594706, activity:9595174, activity:9595969, activity:9596292, activity:9597619, activity:9598768, activity:9599315, activity:9600491, activity:9601203, activity:9601852, activity:9602322