23115

Source:http://linkedlifedata.com/resource/chembl/compound/23115

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:23115_Diaveridine_OTHER
chemicalCompound:standardIn...	InChI=1S/C13H16N4O2/c1-18-10-4-3-8(6-11(10)19-2)5-9-7-16-13(15)17-12(9)14/h3-4,6-7H,5H2,1-2H3,(H4,14,15,16,17)
chemicalCompound:standardIn...	LDBTVAXGKYIFHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Cc2cnc(N)nc2N)cc1OC
chemicalCompound:molecularF...	C13 H16 N4 O2
chemicalCompound:moleculeId	23115
chemicalCompound:mwFreebase	260.292
chemicalCompound:alogp	1.559
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.951
chemicalCompound:acdLogD	0.812
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	260.292
chemicalCompound:acdMostBpk...	6.967
chemicalCompound:chemblId	CHEMBL19633
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:123115
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:123115
chemicalCompound:activity	activity:43944, activity:43945, activity:123889, activity:214732, activity:214733, activity:214734, activity:214735, activity:214736, activity:214737, activity:214738, activity:214739, activity:347540, activity:352209, activity:383706, activity:383707, activity:383708, activity:398314, activity:398315, activity:475945, activity:475946, activity:530181, activity:589879, activity:635937, activity:643772, activity:665076, activity:716629, activity:716630, activity:874866, activity:874867, activity:874868, activity:899537, activity:958412, activity:958413, activity:958414, activity:958415, activity:958416, activity:958417, activity:958418, activity:958419, activity:958420, activity:958421, activity:958422, activity:958423, activity:973538, activity:973539, activity:994285, activity:994286, activity:994287, activity:994288, activity:1003843, activity:1003844, activity:1003845, activity:1086203, activity:1086204, activity:1143272, activity:3762130, activity:6681708, activity:6923774, activity:6975389, activity:7300561