255591

Source:http://linkedlifedata.com/resource/chembl/compound/255591

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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/C14H24ClN5O6P2/c1-16-12-11-13(19-14(15)18-12)20(9-17-11)8-10(4-2-6-27(21,22)23)5-3-7-28(24,25)26/h9-10H,2-8H2,1H3,(H,16,18,19)(H2,21,22,23)(H2,24,25,26)
chemicalCompound:standardIn...	IPUPQMAWWVYUDG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNc1nc(Cl)nc2c1ncn2CC(CCCP(=O)(O)O)CCCP(=O)(O)O
chemicalCompound:molecularF...	C14 H24 Cl N5 O6 P2
chemicalCompound:moleculeId	255591
chemicalCompound:mwFreebase	455.771
chemicalCompound:alogp	0.818
chemicalCompound:hba	10
chemicalCompound:hbd	5
chemicalCompound:psa	190.3
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.299
chemicalCompound:acdLogP	-0.639
chemicalCompound:acdLogD	-5.295
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	455.771
chemicalCompound:acdMostBpk...	1.586
chemicalCompound:chemblId	CHEMBL435875
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:355591
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:445437