439655

Source:http://linkedlifedata.com/resource/chembl/compound/439655

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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/C22H25ClN4O4S2/c1-30-18-12-15(13-21-24-25-22(32)27(21)17-8-6-16(23)7-9-17)20(14-19(18)31-2)33(28,29)26-10-4-3-5-11-26/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,25,32)
chemicalCompound:standardIn...	HTYCFYIKBPQEAT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(CC2=NNC(=S)N2c3ccc(Cl)cc3)c(cc1OC)S(=O)(=O)N4CCCCC4
chemicalCompound:molecularF...	C22 H25 Cl N4 O4 S2
chemicalCompound:moleculeId	439655
chemicalCompound:mwFreebase	509.041
chemicalCompound:alogp	4.379
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	123.93
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.202
chemicalCompound:acdLogP	1.698
chemicalCompound:acdLogD	-0.091
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	509.041
chemicalCompound:chemblId	CHEMBL269879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:539655
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:2091797, activity:2091798, activity:2091823, activity:2091824, activity:2091843, activity:2091844, activity:2091863, activity:2091864, activity:2091883, activity:2091884, activity:2091899, activity:2091900, activity:2091922, activity:2091923, activity:2091953, activity:2091954, activity:2091976, activity:2091977, activity:2091997, activity:2091998, activity:2092012, activity:2092013, activity:2092045, activity:2092046, activity:2092069, activity:2092070, activity:2092084