366792

Source:http://linkedlifedata.com/resource/chembl/compound/366792

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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/C17H20N2O4S/c1-10-14(19-11(2)24-10)15(20)18-9-12-5-7-13(8-6-12)23-17(3,4)16(21)22/h5-8H,9H2,1-4H3,(H,18,20)(H,21,22)
chemicalCompound:standardIn...	BUNYSURCBHRJBQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)O)cc2)c(C)s1
chemicalCompound:molecularF...	C17 H20 N2 O4 S
chemicalCompound:moleculeId	366792
chemicalCompound:mwFreebase	348.417
chemicalCompound:alogp	2.172
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	116.76
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.241
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	-2.609
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	348.417
chemicalCompound:acdMostBpk...	1.768
chemicalCompound:chemblId	CHEMBL218442
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:466792
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:1814038, activity:1814056, activity:1814075, activity:1814092, activity:1814102