373120

Source:http://linkedlifedata.com/resource/chembl/compound/373120

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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/C19H18ClNO7S/c1-25-14-8-11(9-15(26-2)17(14)27-3)29(23,24)18-12-7-10(20)5-6-13(12)21-16(18)19(22)28-4/h5-9,21H,1-4H3
chemicalCompound:standardIn...	JMHCNNYXXAKSNM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C19 H18 Cl N O7 S
chemicalCompound:moleculeId	373120
chemicalCompound:mwFreebase	439.867
chemicalCompound:alogp	3.988
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	112.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.004
chemicalCompound:acdLogP	3.167
chemicalCompound:acdLogD	3.167
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.867
chemicalCompound:chemblId	CHEMBL390534
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:473120
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:1836983, activity:1836998, activity:1837016