786778

Source:http://linkedlifedata.com/resource/chembl/compound/786778

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/C19H20BrFN2O5S/c1-3-23(4-2)29(26,27)17-10-13(8-9-16(17)21)19(25)28-12-18(24)22-15-7-5-6-14(20)11-15/h5-11H,3-4,12H2,1-2H3,(H,22,24)
chemicalCompound:standardIn...	ALVNSANPKJTLTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cc(ccc1F)C(=O)OCC(=O)Nc2cccc(Br)c2
chemicalCompound:molecularF...	C19H20BrFN2O5S
chemicalCompound:moleculeId	786778
chemicalCompound:mwFreebase	487.34
chemicalCompound:alogp	3.09
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	101.15
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.806
chemicalCompound:acdLogP	6.005
chemicalCompound:acdLogD	6.005
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	487.34
chemicalCompound:chemblId	CHEMBL1362894
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:886778
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:3797555, activity:3972228, activity:4351855, activity:4502728, activity:4554545, activity:4660374, activity:7448937