101072

Source:http://linkedlifedata.com/resource/chembl/compound/101072

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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/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)
chemicalCompound:standardIn...	XHXFQGAZAVKMFF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nc(N)c2ncn(CCOCP(=O)(O)O)c2n1
chemicalCompound:molecularF...	C8H13N6O4P
chemicalCompound:moleculeId	101072
chemicalCompound:mwFreebase	288.2
chemicalCompound:alogp	-1.375
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	172.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.626
chemicalCompound:acdLogP	-1.794
chemicalCompound:acdLogD	-5.67
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	288.2
chemicalCompound:acdMostBpk...	5.117
chemicalCompound:chemblId	CHEMBL61733
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201072
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PMEDAP
chemicalCompound:activity	activity:353239, activity:536377, activity:536378, activity:536379, activity:536380, activity:536381, activity:536382, activity:536383, activity:536384, activity:536385, activity:536386, activity:536387, activity:536388, activity:536389, activity:536390, activity:536391, activity:536392, activity:1040749, activity:1834858, activity:2304606, activity:2304644, activity:2305828, activity:2305834, activity:2305963, activity:2306037, activity:2306050, activity:2306053, activity:2307207, activity:2307210, activity:2307278, activity:2307279, activity:2378096, activity:2378101, activity:2378107, activity:2378113, activity:2378119, activity:2378139, activity:2378145, activity:2378151, activity:2607881, activity:2607887, activity:2607894, activity:2607901, activity:2607908, activity:2607915, activity:2607922, activity:2607929, activity:3544435, activity:3544446, activity:3544451, activity:3544469, activity:3544471, activity:3545561, activity:3545570, activity:3545582, activity:3545593, activity:3545601, activity:3545612, activity:3545621, activity:3545634, activity:3545637, activity:3545650, activity:3545662, activity:3545673, activity:3545684