931134

Source:http://linkedlifedata.com/resource/chembl/compound/931134

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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/C19H18N2O5S/c1-12-8-9-14(11-17(12)27(24,25)21(2)3)20-18(22)15-10-13-6-4-5-7-16(13)26-19(15)23/h4-11H,1-3H3,(H,20,22)
chemicalCompound:standardIn...	DHHSTKVDKKUOTI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)S(=O)(=O)c1cc(NC(=O)C2=Cc3ccccc3OC2=O)ccc1C
chemicalCompound:molecularF...	C19H18N2O5S
chemicalCompound:moleculeId	931134
chemicalCompound:mwFreebase	386.422
chemicalCompound:alogp	2.247
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	101.15
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.838
chemicalCompound:acdLogP	2.134
chemicalCompound:acdLogD	2.134
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	386.422
chemicalCompound:chemblId	CHEMBL1507250
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1031134
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:3851368, activity:4113836, activity:4169908, activity:4306369, activity:4975561, activity:5330672, activity:5433798, activity:5514289, activity:5656648, activity:5692249, activity:5801152, activity:5856826, activity:5861035, activity:5874459, activity:5878720, activity:5974266, activity:6494179, activity:6842707, activity:6909131, activity:7031894, activity:7033449, activity:7117936, activity:7361385, activity:7371670, activity:7552341, activity:10306525