1023004

Source:http://linkedlifedata.com/resource/chembl/compound/1023004

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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/C21H25BrO4S/c1-20(2)7-11(23)17(12(24)8-20)19(15-5-6-16(22)27-15)18-13(25)9-21(3,4)10-14(18)26/h5-6,17,19,25H,7-10H2,1-4H3
chemicalCompound:standardIn...	HEANFNVQNLVDJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c3ccc(Br)s3)C(=O)C1
chemicalCompound:molecularF...	C21H25BrO4S
chemicalCompound:moleculeId	1023004
chemicalCompound:mwFreebase	453.39
chemicalCompound:alogp	3.523
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	99.68
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.497
chemicalCompound:acdLogP	4.009
chemicalCompound:acdLogD	0.153
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	453.39
chemicalCompound:chemblId	CHEMBL1599120
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1123004
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:3638911, activity:3717512, activity:3790492, activity:4069025, activity:4087091, activity:4151468, activity:4234154, activity:4319269, activity:4382483, activity:4473538, activity:4594113, activity:4649144, activity:4749707, activity:4756340, activity:4761682, activity:4826708, activity:5511669, activity:5542057, activity:5582771, activity:5689873, activity:6438119, activity:6544146, activity:6759589, activity:6797090, activity:6866151, activity:7067426, activity:7191432, activity:7261358, activity:7319287, activity:7425437, activity:7522946, activity:9791481, activity:9987467, activity:10426823, activity:10433576