642326

Source:http://linkedlifedata.com/resource/chembl/compound/642326

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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/C16H16ClNO2/c17-15-11-6-7-18-9-13(10-4-2-1-3-5-10)12(11)8-14(19)16(15)20/h1-5,8,13,18-20H,6-7,9H2/t13-/m1/s1
chemicalCompound:standardIn...	GHWJEDJMOVUXEC-CYBMUJFWSA-N
chemicalCompound:canonicalS...	Oc1cc2[C@H](CNCCc2c(Cl)c1O)c3ccccc3
chemicalCompound:molecularF...	C16H16ClNO2
chemicalCompound:moleculeId	642326
chemicalCompound:mwFreebase	289.757
chemicalCompound:alogp	3.295
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	52.48
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.481
chemicalCompound:acdLogP	2.661
chemicalCompound:acdLogD	0.926
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	289.757
chemicalCompound:acdMostBpk...	9.36
chemicalCompound:chemblId	CHEMBL1160787
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:742326
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:194453, activity:194454, activity:194455, activity:194456, activity:194457, activity:194458, activity:456316, activity:456317