918072

Source:http://linkedlifedata.com/resource/chembl/compound/918072

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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/C14H12BrClN2O2S/c1-9-6-10-4-2-3-5-13(10)18(9)21(19,20)11-7-12(15)14(16)17-8-11/h2-5,7-9H,6H2,1H3
chemicalCompound:standardIn...	SFMMOEHTRIDDPD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2ccccc2N1S(=O)(=O)c3cnc(Cl)c(Br)c3
chemicalCompound:molecularF...	C14H12BrClN2O2S
chemicalCompound:moleculeId	918072
chemicalCompound:mwFreebase	387.679
chemicalCompound:alogp	3.447
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	58.65
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.151
chemicalCompound:acdLogD	4.151
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	387.679
chemicalCompound:chemblId	CHEMBL1494188
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1018072
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:4319410, activity:4624222, activity:4905030, activity:5355024, activity:5419770, activity:5509606, activity:5527504, activity:5538456, activity:5544383, activity:6570417, activity:6626616