578165

Source:http://linkedlifedata.com/resource/chembl/compound/578165

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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/C9H10ClNO/c1-7-5-8(3-2-4-12)9(10)11-6-7/h2-3,5-6,12H,4H2,1H3/b3-2-
chemicalCompound:standardIn...	WBARJHONXLUJEK-IHWYPQMZSA-N
chemicalCompound:canonicalS...	Cc1cnc(Cl)c(\C=C/CO)c1
chemicalCompound:molecularF...	C9H10ClNO
chemicalCompound:moleculeId	578165
chemicalCompound:mwFreebase	183.635
chemicalCompound:alogp	1.902
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	33.12
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.717
chemicalCompound:acdLogP	1.881
chemicalCompound:acdLogD	1.881
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	183.635
chemicalCompound:acdMostBpk...	0.584
chemicalCompound:chemblId	CHEMBL570736
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:678165
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:3018340, activity:3018349, activity:3018355, activity:3018358, activity:3018362, activity:3018371, activity:3018379, activity:3018389, activity:3018399, activity:3018409, activity:3018419, activity:3018428