262135

Source:http://linkedlifedata.com/resource/chembl/compound/262135

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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/C24H29N3O3S/c1-4-27(5-2)23(22-12-8-10-18-9-6-7-11-21(18)22)17-25-24(28)19-13-15-20(16-14-19)26-31(3,29)30/h6-16,23,26H,4-5,17H2,1-3H3,(H,25,28)
chemicalCompound:standardIn...	IKQSFTKYZOOYEX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(CNC(=O)c1ccc(NS(=O)(=O)C)cc1)c2cccc3ccccc23
chemicalCompound:molecularF...	C24 H29 N3 O3 S
chemicalCompound:moleculeId	262135
chemicalCompound:mwFreebase	439.57
chemicalCompound:alogp	3.306
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	86.88
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.423
chemicalCompound:acdLogP	3.736
chemicalCompound:acdLogD	2.469
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.57
chemicalCompound:acdMostBpk...	7.982
chemicalCompound:chemblId	CHEMBL347540
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:362135
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:65237, activity:65238, activity:65239, activity:65240, activity:65241, activity:65242, activity:65243, activity:65244, activity:65245