1306668

Source:http://linkedlifedata.com/resource/chembl/compound/1306668

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1329276
chemicalCompound:standardIn...	InChI=1S/C15H24O7P2.Na/c1-14(2,3)10-7-9(8-11(12(10)16)15(4,5)6)13(23(17,18)19)24(20,21)22;/h7-8H,1-6H3,(H2,17,18,19)(H2,20,21,22);/q;+1
chemicalCompound:standardIn...	MLHPFKPKTJVXID-UHFFFAOYSA-N
chemicalCompound:canonicalS...	[Na+].CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C1=O)C(C)(C)C
chemicalCompound:molecularF...	C15H24NaO7P2
chemicalCompound:moleculeId	1306668
chemicalCompound:mwFreebase	378.294
chemicalCompound:alogp	2.444
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	151.75
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	0.787
chemicalCompound:acdLogP	0.455
chemicalCompound:acdLogD	-5.883
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	401.284
chemicalCompound:chemblId	CHEMBL1985377
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1406668
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:8312287, activity:8327559, activity:8371567, activity:8408738, activity:8453052, activity:8517503, activity:8537467, activity:8607675, activity:8614078, activity:8699262, activity:8783763, activity:8785476, activity:8817933, activity:8937002, activity:8942580, activity:8984137, activity:9024522, activity:9110184, activity:9164671, activity:9197159, activity:9217727, activity:9230101, activity:9298680, activity:9306369, activity:9379602, activity:9452019, activity:9463238, activity:9636694, activity:9697916, activity:9722975, activity:9724717, activity:9808546, activity:9871597, activity:9900598, activity:9934304, activity:9976363, activity:10083678, activity:10087004, activity:10093597, activity:10185255, activity:10192277, activity:10230134, activity:10265299, activity:10381143, activity:10439571, activity:10450753, activity:10488425, activity:10506790, activity:10550683, activity:10603647, activity:10611039, activity:10634501, activity:10717559, activity:10817449