101312

Source:http://linkedlifedata.com/resource/chembl/compound/101312

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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/C9H14N5O4P/c10-6-3-7(11)13-9-8(6)12-4-14(9)1-2-18-5-19(15,16)17/h3-4H,1-2,5H2,(H4,10,11,13)(H2,15,16,17)
chemicalCompound:standardIn...	HHTRFRFWTSCDEC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Nc1cc(N)c2ncn(CCOCP(=O)(O)O)c2n1
chemicalCompound:molecularF...	C9 H14 N5 O4 P
chemicalCompound:moleculeId	101312
chemicalCompound:mwFreebase	287.212
chemicalCompound:alogp	-1.268
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	159.32
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.629
chemicalCompound:acdLogP	-1.852
chemicalCompound:acdLogD	-4.779
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	287.212
chemicalCompound:acdMostBpk...	8.811
chemicalCompound:chemblId	CHEMBL65366
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:201312
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:533633, activity:533634, activity:533635, activity:533636, activity:533637, activity:533638, activity:533639, activity:533640, activity:533641, activity:533642, activity:533643, activity:533644, activity:533645, activity:533646, activity:533647, activity:533648, activity:533649, activity:533650