846944

Source:http://linkedlifedata.com/resource/chembl/compound/846944

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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/C23H20N4O5S/c1-31-16-10-8-15(9-11-16)21(29)26-27-22(30)18-6-2-3-7-19(18)25-23(27)33-14-20(28)24-13-17-5-4-12-32-17/h2-12H,13-14H2,1H3,(H,24,28)(H,26,29)
chemicalCompound:standardIn...	IHJKYAOJKZMYSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(=O)NN2C(=Nc3ccccc3C2=O)SCC(=O)NCc4occc4
chemicalCompound:molecularF...	C23H20N4O5S
chemicalCompound:moleculeId	846944
chemicalCompound:mwFreebase	464.494
chemicalCompound:alogp	2.878
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	138.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.642
chemicalCompound:acdLogP	3.099
chemicalCompound:acdLogD	3.096
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	464.494
chemicalCompound:chemblId	CHEMBL1423060
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:946944
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:3689975, activity:3695742, activity:3700196, activity:3764112, activity:3770300, activity:3845689, activity:3867020, activity:3909114, activity:3926059, activity:4098267, activity:4279604, activity:4315850, activity:4466441, activity:4482394, activity:4543737, activity:4702932, activity:4708388, activity:4790577, activity:4795773, activity:4869268, activity:4965991, activity:5008807, activity:5448183, activity:5499261, activity:5597127, activity:5667472, activity:5718737, activity:5910467, activity:6473372, activity:6910161, activity:7321921, activity:7359169, activity:7362790, activity:7383137, activity:7458806, activity:10067583