173064

Source:http://linkedlifedata.com/resource/chembl/compound/173064

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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/C21H24N2O3S/c1-14(2)13-17-9-11-18(12-10-17)19-7-5-6-8-20(19)27(24,25)23-21-15(3)16(4)22-26-21/h5-12,14,23H,13H2,1-4H3
chemicalCompound:standardIn...	BWTQPWDURQZRKQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)Cc1ccc(cc1)c2ccccc2S(=O)(=O)Nc3onc(C)c3C
chemicalCompound:molecularF...	C21 H24 N2 O3 S
chemicalCompound:moleculeId	173064
chemicalCompound:mwFreebase	384.492
chemicalCompound:alogp	4.833
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	80.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.123
chemicalCompound:acdLogP	4.946
chemicalCompound:acdLogD	3.722
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	384.492
chemicalCompound:chemblId	CHEMBL105490
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:273064
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:792463, activity:792464, activity:792465, activity:1115628, activity:1115629, activity:1115630