29619

Source:http://linkedlifedata.com/resource/chembl/compound/29619

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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/C16H23ClN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
chemicalCompound:standardIn...	CQFIGXQADSIOPJ-NSHDSACASA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Cl)c2OC
chemicalCompound:molecularF...	C16 H23 Cl N2 O3
chemicalCompound:moleculeId	29619
chemicalCompound:mwFreebase	326.818
chemicalCompound:alogp	2.646
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.8
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.642
chemicalCompound:acdLogP	2.082
chemicalCompound:acdLogD	0.271
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	326.818
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL23932
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129619
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:35720, activity:35721, activity:35722