485611

Source:http://linkedlifedata.com/resource/chembl/compound/485611

Download in:

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)7(11)13-5(6)3(9)2-8/h3,5,8-10H,2H2,1H3/t3-,5+/m0/s1
chemicalCompound:standardIn...	HFSCYDMAVALOIA-WVZVXSGGSA-N
chemicalCompound:canonicalS...	COC1=C(O)C(=O)O[C@@H]1[C@@H](O)CO
chemicalCompound:molecularF...	C7H10O6
chemicalCompound:moleculeId	485611
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...	8.775
chemicalCompound:acdLogP	-2.777
chemicalCompound:acdLogD	-2.793
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	190.151
chemicalCompound:chemblId	CHEMBL509300
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585611
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:2187633, activity:2187658, activity:2187668, activity:2187678