40528

Source:http://linkedlifedata.com/resource/chembl/compound/40528

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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/C8H12N2O7/c11-1-2-3(12)4(13)5(14)8(17-2)6(15)9-7(16)10-8/h2-5,11-14H,1H2,(H2,9,10,15,16)
chemicalCompound:standardIn...	QRXBDPYWCAAAAI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCC1OC2(NC(=O)NC2=O)C(O)C(O)C1O
chemicalCompound:molecularF...	C8 H12 N2 O7
chemicalCompound:moleculeId	40528
chemicalCompound:mwFreebase	248.19
chemicalCompound:alogp	-3.124
chemicalCompound:hba	7
chemicalCompound:hbd	6
chemicalCompound:psa	148.35
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.754
chemicalCompound:acdLogP	-2
chemicalCompound:acdLogD	-2.018
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	248.19
chemicalCompound:chemblId	CHEMBL287432
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:140528
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:228900, activity:277675, activity:277676, activity:277677, activity:277678, activity:280010, activity:280011, activity:280012, activity:280013, activity:476930, activity:1031627, activity:1090505, activity:1212180, activity:1212181, activity:1269849