864576

Source:http://linkedlifedata.com/resource/chembl/compound/864576

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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/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3
chemicalCompound:standardIn...	GOJBOTXFJSHHLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(C=NO)ccc1OCc2ccc(Cl)cc2
chemicalCompound:molecularF...	C15H14ClNO3
chemicalCompound:moleculeId	864576
chemicalCompound:mwFreebase	291.73
chemicalCompound:alogp	3.871
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	51.05
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.858
chemicalCompound:acdLogP	3.448
chemicalCompound:acdLogD	3.448
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	291.73
chemicalCompound:chemblId	CHEMBL1440692
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:964576
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:3697142, activity:3821403, activity:3858618, activity:3867428, activity:4085054, activity:4134486, activity:4214166, activity:4437997, activity:4484144, activity:4550841, activity:4612099, activity:4692394, activity:4814356, activity:4954212, activity:5575960, activity:5650332, activity:5891809, activity:7103544, activity:7420182