97675

Source:http://linkedlifedata.com/resource/chembl/compound/97675

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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/C17H25ClN2O3/c1-4-11-9-13(18)15(21)14(16(11)23-3)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
chemicalCompound:standardIn...	KSUCKSLJGXQWOX-LBPRGKRZSA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)c(Cl)cc(CC)c2OC
chemicalCompound:molecularF...	C17 H25 Cl N2 O3
chemicalCompound:moleculeId	97675
chemicalCompound:mwFreebase	340.845
chemicalCompound:alogp	3.363
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	61.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.721
chemicalCompound:acdLogP	3.621
chemicalCompound:acdLogD	1.317
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	340.845
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL293904
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:197675
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:279197, activity:279198, activity:279199, activity:279200, activity:534547, activity:534548, activity:534549