757477

Source:http://linkedlifedata.com/resource/chembl/compound/757477

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/C21H18BrNO6S/c1-27-15-8-12(9-16(28-2)18(15)29-3)19(24)23-20-17(21(25)26)14(10-30-20)11-4-6-13(22)7-5-11/h4-10H,1-3H3,(H,23,24)(H,25,26)
chemicalCompound:standardIn...	WRMKKPCGARQORO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)Nc2scc(c3ccc(Br)cc3)c2C(=O)O
chemicalCompound:molecularF...	C21H18BrNO6S
chemicalCompound:moleculeId	757477
chemicalCompound:mwFreebase	492.34
chemicalCompound:alogp	4.248
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	122.33
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.005
chemicalCompound:acdLogP	3.876
chemicalCompound:acdLogD	0.951
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	492.34
chemicalCompound:chemblId	CHEMBL1333593
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:857477
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:4573240, activity:5440257, activity:5565804, activity:5571812, activity:5650710, activity:5654697, activity:5661408, activity:5680843, activity:5714400, activity:5773777, activity:5814346, activity:5974582, activity:5981303, activity:5983729, activity:6880530, activity:6959366, activity:7018489