782712

Source:http://linkedlifedata.com/resource/chembl/compound/782712

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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/C15H12N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h3-6H,1-2H3,(H2-,16,18,19,20,21)/p+1
chemicalCompound:standardIn...	OWHXYAGCYVQADL-UHFFFAOYSA-O
chemicalCompound:canonicalS...	CN(C)c1ccc2nc3c(cc(O)c(O)c3[o+]c2c1)C(=O)O
chemicalCompound:molecularF...	C15H13N2O5
chemicalCompound:moleculeId	782712
chemicalCompound:mwFreebase	301.274
chemicalCompound:alogp	2.652
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	105.19
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	301.274
chemicalCompound:acdMostBpk...	5.293
chemicalCompound:chemblId	CHEMBL1358828
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:882712
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:3708616, activity:4020295, activity:4125801, activity:4407177, activity:4520010, activity:4853525, activity:4994311, activity:6000089, activity:6010208, activity:6026076, activity:6029427, activity:6058542