33895

Source:http://linkedlifedata.com/resource/chembl/compound/33895

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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/C16H19ClN2O2/c1-2-3-9-14-18-16(17)13(10-15(20)21)19(14)11-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,20,21)
chemicalCompound:standardIn...	QEHNGXIFKHUKCG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)O)n1Cc2ccccc2
chemicalCompound:molecularF...	C16 H19 Cl N2 O2
chemicalCompound:moleculeId	33895
chemicalCompound:mwFreebase	306.787
chemicalCompound:alogp	4.176
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	55.12
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.609
chemicalCompound:acdLogP	2.809
chemicalCompound:acdLogD	-0.299
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	306.787
chemicalCompound:acdMostBpk...	5.072
chemicalCompound:chemblId	CHEMBL279683
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133895
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:156291, activity:640725