439708

Source:http://linkedlifedata.com/resource/chembl/compound/439708

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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/C21H25ClN4O4S2/c1-5-25(6-2)32(27,28)19-13-18(30-4)17(29-3)11-14(19)12-20-23-24-21(31)26(20)16-9-7-15(22)8-10-16/h7-11,13H,5-6,12H2,1-4H3,(H,24,31)
chemicalCompound:standardIn...	VGWSGAXQBZZKEZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)S(=O)(=O)c1cc(OC)c(OC)cc1CC2=NNC(=S)N2c3ccc(Cl)cc3
chemicalCompound:molecularF...	C21 H25 Cl N4 O4 S2
chemicalCompound:moleculeId	439708
chemicalCompound:mwFreebase	497.031
chemicalCompound:alogp	4.159
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.93
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.202
chemicalCompound:acdLogP	1.881
chemicalCompound:acdLogD	0.091
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	497.031
chemicalCompound:chemblId	CHEMBL406398
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539708
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:2091801, activity:2091802, activity:2091827, activity:2091828, activity:2091847, activity:2091848, activity:2091867, activity:2091868, activity:2091887, activity:2091888, activity:2091903, activity:2091904, activity:2091926, activity:2091927, activity:2091957, activity:2091958, activity:2091980, activity:2091981, activity:2092001, activity:2092002, activity:2092028, activity:2092029, activity:2092049, activity:2092050, activity:2092073, activity:2092074, activity:2092086