742859

Source:http://linkedlifedata.com/resource/chembl/compound/742859

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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/C18H23N3O5S/c1-20-13-16(27(23,24)21-6-8-26-9-7-21)11-17(20)18(22)19-12-14-4-3-5-15(10-14)25-2/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,22)
chemicalCompound:standardIn...	GSBNWXVNHUOVOX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(CNC(=O)c2cc(cn2C)S(=O)(=O)N3CCOCC3)c1
chemicalCompound:molecularF...	C18H23N3O5S
chemicalCompound:moleculeId	742859
chemicalCompound:mwFreebase	393.457
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	98.25
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.065
chemicalCompound:acdLogD	2.065
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.457
chemicalCompound:chemblId	CHEMBL1318975
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:842859
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:4533976, activity:4536848, activity:4746252, activity:5436667, activity:5587574, activity:6566664