921022

Source:http://linkedlifedata.com/resource/chembl/compound/921022

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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/C22H23NO2S/c1-14-4-6-16(7-5-14)23-18-11-22(2,3)12-19(24)21(18)17(10-20(23)25)15-8-9-26-13-15/h4-9,13,17H,10-12H2,1-3H3
chemicalCompound:standardIn...	MERYMFYEUXWOLK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N2C(=O)CC(C3=C2CC(C)(C)CC3=O)c4ccsc4
chemicalCompound:molecularF...	C22H23NO2S
chemicalCompound:moleculeId	921022
chemicalCompound:mwFreebase	365.489
chemicalCompound:alogp	3.939
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	65.62
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.423
chemicalCompound:acdLogD	4.423
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	365.489
chemicalCompound:acdMostBpk...	0.272
chemicalCompound:chemblId	CHEMBL1497138
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1021022
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:4533967, activity:4536839, activity:5987788, activity:6015109, activity:6016834, activity:6069128, activity:6070108, activity:6588714, activity:7180243