822540

Source:http://linkedlifedata.com/resource/chembl/compound/822540

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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/C14H18N4O4S/c1-18(23(20,21)14-8-15-10-17-14)9-13(19)16-7-11-4-3-5-12(6-11)22-2/h3-6,8,10H,7,9H2,1-2H3,(H,15,17)(H,16,19)
chemicalCompound:standardIn...	XTCWZDFKBNCHLM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2c[nH]cn2)c1
chemicalCompound:molecularF...	C14H18N4O4S
chemicalCompound:moleculeId	822540
chemicalCompound:mwFreebase	338.382
chemicalCompound:alogp	0
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	112.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.77
chemicalCompound:acdLogP	1.076
chemicalCompound:acdLogD	1.074
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	338.382
chemicalCompound:acdMostBpk...	1.955
chemicalCompound:chemblId	CHEMBL1398656
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922540
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:3630487, activity:4299898, activity:5408406, activity:6570140, activity:7165441