837058

Source:http://linkedlifedata.com/resource/chembl/compound/837058

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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/C16H17ClN2O3/c1-2-3-8-22-15-7-5-12(10-18-15)19-14-9-11(17)4-6-13(14)16(20)21/h4-7,9-10,19H,2-3,8H2,1H3,(H,20,21)
chemicalCompound:standardIn...	VJFNMPCCIPJOHB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCOc1ccc(Nc2cc(Cl)ccc2C(=O)O)cn1
chemicalCompound:molecularF...	C16H17ClN2O3
chemicalCompound:moleculeId	837058
chemicalCompound:mwFreebase	320.771
chemicalCompound:alogp	4.375
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	71.45
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.264
chemicalCompound:acdLogP	6.424
chemicalCompound:acdLogD	3.366
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	320.771
chemicalCompound:acdMostBpk...	4.35
chemicalCompound:chemblId	CHEMBL1413174
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:937058
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:3806303, activity:3907139, activity:4266558, activity:4279921, activity:4440497, activity:4573223, activity:5039681, activity:5338652, activity:5379044, activity:5566200, activity:5814220, activity:6725420, activity:6929124, activity:7018486, activity:7267788