594165

Source:http://linkedlifedata.com/resource/chembl/compound/594165

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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/C15H13Cl2NO3/c16-11-6-8(7-12(18)15(20)21)5-10(14(11)17)9-3-1-2-4-13(9)19/h1-6,12,19H,7,18H2,(H,20,21)
chemicalCompound:standardIn...	NNZPKBBYXXVXHH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(Cc1cc(Cl)c(Cl)c(c1)c2ccccc2O)C(=O)O
chemicalCompound:molecularF...	C15H13Cl2NO3
chemicalCompound:moleculeId	594165
chemicalCompound:mwFreebase	326.175
chemicalCompound:alogp	1
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	83.55
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.123
chemicalCompound:acdLogP	2.096
chemicalCompound:acdLogD	-0.432
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	326.175
chemicalCompound:acdMostBpk...	8.909
chemicalCompound:chemblId	CHEMBL594642
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:694165
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:3055128, activity:3055145, activity:3055189, activity:3055210, activity:3055231, activity:3055254