160664

Source:http://linkedlifedata.com/resource/chembl/compound/160664

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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/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
chemicalCompound:standardIn...	KKSDGJDHHZEWEP-SNAWJCMRSA-N
chemicalCompound:canonicalS...	OC(=O)\C=C\c1cccc(O)c1
chemicalCompound:molecularF...	C9H8O3
chemicalCompound:moleculeId	160664
chemicalCompound:mwFreebase	164.158
chemicalCompound:alogp	1.685
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	57.53
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.381
chemicalCompound:acdLogP	0.928
chemicalCompound:acdLogD	-2.053
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	164.158
chemicalCompound:chemblId	CHEMBL98521
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:260664
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32357
chemicalCompound:activity	activity:1052706, activity:1247213, activity:1264007, activity:1430915, activity:1430916, activity:2385438, activity:3254875, activity:3254959, activity:6166832, activity:6178536