100846

Source:http://linkedlifedata.com/resource/chembl/compound/100846

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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/c9-7-5-6(8(10)13-12-7)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,9,12)(H2,10,13)(H2,15,16,17)
chemicalCompound:standardIn...	NHMOFSVPDDWJQZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1nnc(N)c2c1ncn2CCOCP(=O)(O)O
chemicalCompound:molecularF...	C8 H13 N6 O4 P
chemicalCompound:moleculeId	100846
chemicalCompound:mwFreebase	288.2
chemicalCompound:alogp	-1.395
chemicalCompound:hba	9
chemicalCompound:hbd	4
chemicalCompound:psa	172.2
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.63
chemicalCompound:acdLogP	-2.551
chemicalCompound:acdLogD	-5.698
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	288.2
chemicalCompound:acdMostBpk...	7.758
chemicalCompound:chemblId	CHEMBL65177
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200846
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:521672, activity:521673, activity:521674, activity:521675, activity:521676, activity:521677, activity:521678, activity:521679, activity:521680, activity:521681, activity:521682, activity:521683, activity:521684, activity:521685, activity:521686, activity:521687, activity:521688, activity:521689