159987

Source:http://linkedlifedata.com/resource/chembl/compound/159987

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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/C12H14N4O7S3/c1-22-5-6-23-10(17)8-3-2-4-9(7-8)26(20,21)16-11-14-15-12(24-11)25(13,18)19/h2-4,7H,5-6H2,1H3,(H,14,16)(H2,13,18,19)
chemicalCompound:standardIn...	PFXDRFNBOIJAJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COCCOC(=O)c1cccc(c1)S(=O)(=O)Nc2nnc(s2)S(=O)(=O)N
chemicalCompound:molecularF...	C12 H14 N4 O7 S3
chemicalCompound:moleculeId	159987
chemicalCompound:mwFreebase	422.457
chemicalCompound:alogp	-0.237
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	212.63
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.816
chemicalCompound:acdLogP	1.078
chemicalCompound:acdLogD	-0.993
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	422.457
chemicalCompound:chemblId	CHEMBL319110
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:259987
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:111554, activity:111555, activity:111556, activity:111557, activity:111558, activity:111559, activity:111560