922771

Source:http://linkedlifedata.com/resource/chembl/compound/922771

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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/C24H21N3O4S2/c1-16-7-13-19(14-8-16)33(29,30)27-21-6-4-3-5-20(21)23(28)26-24-25-22(15-32-24)17-9-11-18(31-2)12-10-17/h3-15,27H,1-2H3,(H,25,26,28)
chemicalCompound:standardIn...	VJHUYDLSNDDSJO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)c2csc(NC(=O)c3ccccc3NS(=O)(=O)c4ccc(C)cc4)n2
chemicalCompound:molecularF...	C24H21N3O4S2
chemicalCompound:moleculeId	922771
chemicalCompound:mwFreebase	479.571
chemicalCompound:alogp	4.516
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	134.01
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.03
chemicalCompound:acdLogP	6.791
chemicalCompound:acdLogD	6.206
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	479.571
chemicalCompound:acdMostBpk...	1.904
chemicalCompound:chemblId	CHEMBL1498887
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1022771
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:3626470, activity:3675795, activity:3702589, activity:3739367, activity:3808501, activity:3872535, activity:3945108, activity:3988478, activity:4029955, activity:4074918, activity:4122311, activity:4202635, activity:4514467, activity:4561070, activity:4708228, activity:4709374, activity:4845899, activity:4926926, activity:5354116, activity:5394439, activity:5459682, activity:5571868, activity:5611048, activity:5741107, activity:5833973, activity:5918383, activity:6631718, activity:6886780, activity:6933675, activity:7008026, activity:7045986, activity:7063240, activity:7298734, activity:7342209, activity:7378096, activity:7488782, activity:10788436