481920

Source:http://linkedlifedata.com/resource/chembl/compound/481920

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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/C10H12O3/c1-2-8(11)7-3-4-9-10(5-7)13-6-12-9/h3-5,8,11H,2,6H2,1H3
chemicalCompound:standardIn...	PXFYAFDHWSXVLU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(O)c1ccc2OCOc2c1
chemicalCompound:molecularF...	C10H12O3
chemicalCompound:moleculeId	481920
chemicalCompound:mwFreebase	180.2
chemicalCompound:alogp	1.894
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	38.69
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.129
chemicalCompound:acdLogD	2.129
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	180.2
chemicalCompound:chemblId	CHEMBL463793
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:581920
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:2540177, activity:2540208, activity:2540238, activity:2540268, activity:2541335, activity:2541376, activity:2541411, activity:2541446, activity:2541481, activity:2541516, activity:2541551, activity:2541587, activity:2541623, activity:2542698, activity:2542734, activity:2542770