119398

Source:http://linkedlifedata.com/resource/chembl/compound/119398

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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/C16H16Cl2O3S/c17-14-11(21-8-13(19)20)6-10-7-12(22-16(10)15(14)18)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,19,20)
chemicalCompound:standardIn...	QHVPZASRHWKLMF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)COc1cc2cc(sc2c(Cl)c1Cl)C3CCCCC3
chemicalCompound:molecularF...	C16 H16 Cl2 O3 S
chemicalCompound:moleculeId	119398
chemicalCompound:mwFreebase	359.267
chemicalCompound:alogp	5.757
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	74.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.762
chemicalCompound:acdLogP	5.263
chemicalCompound:acdLogD	1.519
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	359.267
chemicalCompound:chemblId	CHEMBL75339
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:219398
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:265053, activity:265054, activity:265055