822479

Source:http://linkedlifedata.com/resource/chembl/compound/822479

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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/C20H20ClN3O4S3/c1-13(29-20-23-17-11-14(21)5-6-18(17)30-20)19(25)22-15-3-2-4-16(12-15)31(26,27)24-7-9-28-10-8-24/h2-6,11-13H,7-10H2,1H3,(H,22,25)
chemicalCompound:standardIn...	RFBPLZZVEFTOML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc3cccc(c3)S(=O)(=O)N4CCOCC4
chemicalCompound:molecularF...	C20H20ClN3O4S3
chemicalCompound:moleculeId	822479
chemicalCompound:mwFreebase	498.038
chemicalCompound:alogp	3.587
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	150.52
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.832
chemicalCompound:acdLogP	4.582
chemicalCompound:acdLogD	4.582
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	498.038
chemicalCompound:chemblId	CHEMBL1398595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:922479
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:3874017, activity:3955018, activity:3983099, activity:4207663, activity:4336199, activity:4429864, activity:4757347, activity:5410840, activity:5432074, activity:5640235, activity:5661644, activity:5867625, activity:5868425, activity:5970265, activity:6547954, activity:6759784, activity:7319415, activity:7526426, activity:7552384, activity:7554821