170955

Source:http://linkedlifedata.com/resource/chembl/compound/170955

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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/C15H20N4O2/c1-2-7-19-13-11(14(20)18-15(19)21)16-12(17-13)10(8-3-4-8)9-5-6-9/h8-10H,2-7H2,1H3,(H,16,17)(H,18,20,21)
chemicalCompound:standardIn...	AEWZPTKAJDLRTQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)NC(=O)c2[nH]c(nc12)C(C3CC3)C4CC4
chemicalCompound:molecularF...	C15 H20 N4 O2
chemicalCompound:moleculeId	170955
chemicalCompound:mwFreebase	288.345
chemicalCompound:alogp	2.423
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	78.09
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.861
chemicalCompound:acdLogP	2.342
chemicalCompound:acdLogD	2.342
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	288.345
chemicalCompound:acdMostBpk...	2.173
chemicalCompound:chemblId	CHEMBL443274
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:270955
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:178567, activity:178568, activity:178569, activity:178570, activity:178571, activity:178572, activity:178573, activity:178574, activity:178575, activity:178576, activity:178577, activity:178578, activity:178579, activity:178580, activity:178581, activity:178582, activity:178583, activity:178584, activity:178585, activity:178586, activity:178587, activity:178588, activity:178589, activity:178590, activity:178591, activity:178592, activity:315917, activity:315918, activity:315919