485612

Source:http://linkedlifedata.com/resource/chembl/compound/485612

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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/C7H10O6/c1-12-6-4(10)5(3(9)2-8)13-7(6)11/h3,5,8-10H,2H2,1H3/t3-,5+/m0/s1
chemicalCompound:standardIn...	JBXPKMHATRSERD-WVZVXSGGSA-N
chemicalCompound:canonicalS...	COC1=C(O)[C@H](OC1=O)[C@@H](O)CO
chemicalCompound:molecularF...	C7H10O6
chemicalCompound:moleculeId	485612
chemicalCompound:mwFreebase	190.151
chemicalCompound:alogp	-1.483
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	96.22
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.772
chemicalCompound:acdLogP	-2.777
chemicalCompound:acdLogD	-5.923
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	190.151
chemicalCompound:chemblId	CHEMBL452673
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585612
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:2187657, activity:2187667, activity:2187677, activity:2187680