833515

Source:http://linkedlifedata.com/resource/chembl/compound/833515

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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/C16H12ClNO5/c1-9-4-6-10(7-5-9)18-13-12(17)15(20)23-16(13)22-14(19)11-3-2-8-21-11/h2-8,16,20H,1H3
chemicalCompound:standardIn...	ZERNBOROPCJJKR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N=C2C(OC(=O)c3occc3)OC(=C2Cl)O
chemicalCompound:molecularF...	C16H12ClNO5
chemicalCompound:moleculeId	833515
chemicalCompound:mwFreebase	333.723
chemicalCompound:alogp	4.102
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	81.26
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.639
chemicalCompound:acdLogP	3.747
chemicalCompound:acdLogD	2.03
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	333.723
chemicalCompound:chemblId	CHEMBL1409631
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:933515
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:3621589, activity:3769817, activity:3958348, activity:4010634, activity:4305431, activity:4515255, activity:4535454, activity:4718279, activity:4789712, activity:5432714, activity:5582534, activity:6771543, activity:6831184, activity:7049187