738758

Source:http://linkedlifedata.com/resource/chembl/compound/738758

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H19FN2O7S/c18-14-4-3-12(28(24,25)19-6-8-26-9-7-19)10-13(14)17(23)27-11-16(22)20-5-1-2-15(20)21/h3-4,10H,1-2,5-9,11H2
chemicalCompound:standardIn...	OMVFYEGOVHEQMD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(cc1C(=O)OCC(=O)N2CCCC2=O)S(=O)(=O)N3CCOCC3
chemicalCompound:molecularF...	C17H19FN2O7S
chemicalCompound:moleculeId	738758
chemicalCompound:mwFreebase	414.405
chemicalCompound:alogp	0
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	118.66
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.949
chemicalCompound:acdLogD	0.949
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	414.405
chemicalCompound:chemblId	CHEMBL1314874
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:838758
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:4198973, activity:5619977, activity:5919834, activity:7302351