259617

Source:http://linkedlifedata.com/resource/chembl/compound/259617

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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/C17H16ClNO/c1-19-8-7-10-3-2-4-11-16(10)14(19)9-12-13(18)5-6-15(20)17(11)12/h2-6,14,20H,7-9H2,1H3/t14-/m1/s1
chemicalCompound:standardIn...	SZKXJANEEVRYQY-CQSZACIVSA-N
chemicalCompound:canonicalS...	CN1CCc2cccc3c2[C@H]1Cc4c(Cl)ccc(O)c34
chemicalCompound:molecularF...	C17 H16 Cl N O
chemicalCompound:moleculeId	259617
chemicalCompound:mwFreebase	285.768
chemicalCompound:alogp	4.022
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.17
chemicalCompound:acdLogP	2.953
chemicalCompound:acdLogD	2.574
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	285.768
chemicalCompound:acdMostBpk...	7.577
chemicalCompound:chemblId	CHEMBL153960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:359617
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:180965, activity:180966, activity:180967, activity:180968