439600

Source:http://linkedlifedata.com/resource/chembl/compound/439600

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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/C21H23ClN4O4S2/c1-29-17-11-14(19(13-18(17)30-2)32(27,28)25-9-3-4-10-25)12-20-23-24-21(31)26(20)16-7-5-15(22)6-8-16/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,24,31)
chemicalCompound:standardIn...	FDPRUHADKVRLKN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2=NNC(=S)N2c3ccc(Cl)cc3)c(cc1OC)S(=O)(=O)N4CCCC4
chemicalCompound:molecularF...	C21 H23 Cl N4 O4 S2
chemicalCompound:moleculeId	439600
chemicalCompound:mwFreebase	495.015
chemicalCompound:alogp	3.923
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.202
chemicalCompound:acdLogP	1.171
chemicalCompound:acdLogD	-0.618
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	495.015
chemicalCompound:chemblId	CHEMBL409347
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539600
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:2091807, activity:2091808, activity:2091815, activity:2091816, activity:2091835, activity:2091836, activity:2091855, activity:2091856, activity:2091875, activity:2091876, activity:2091911, activity:2091912, activity:2091933, activity:2091934, activity:2091945, activity:2091946, activity:2091968, activity:2091969, activity:2091989, activity:2091990, activity:2092022, activity:2092023, activity:2092037, activity:2092038, activity:2092061, activity:2092062, activity:2092080