332548

Source:http://linkedlifedata.com/resource/chembl/compound/332548

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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/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1
chemicalCompound:standardIn...	WWKKPLWKYQGHBF-LBPRGKRZSA-N
chemicalCompound:canonicalS...	O=C1Nc2ccc(cc2C1=O)S(=O)(=O)N3CC[C@H]3COc4ccccc4
chemicalCompound:molecularF...	C18 H16 N2 O5 S
chemicalCompound:moleculeId	332548
chemicalCompound:mwFreebase	372.395
chemicalCompound:alogp	1.329
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	101.16
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.655
chemicalCompound:acdLogP	2.793
chemicalCompound:acdLogD	2.77
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.395
chemicalCompound:chemblId	CHEMBL200767
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:432548
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:1653985, activity:1656576, activity:1656603, activity:1656630, activity:1656657, activity:6150991