723156

Source:http://linkedlifedata.com/resource/chembl/compound/723156

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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/C19H23N3O4S/c1-2-21(15-16-6-8-20-9-7-16)19(23)17-4-3-5-18(14-17)27(24,25)22-10-12-26-13-11-22/h3-9,14H,2,10-13,15H2,1H3
chemicalCompound:standardIn...	HDTJHCGXPKFKQU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(Cc1ccncc1)C(=O)c2cccc(c2)S(=O)(=O)N3CCOCC3
chemicalCompound:molecularF...	C19H23N3O4S
chemicalCompound:moleculeId	723156
chemicalCompound:mwFreebase	389.469
chemicalCompound:alogp	0.83
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	88.18
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.984
chemicalCompound:acdLogD	0.981
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.469
chemicalCompound:acdMostBpk...	5.246
chemicalCompound:chemblId	CHEMBL1299272
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:823156
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:4130054, activity:5540610, activity:5560148, activity:6573883, activity:6716452