980415

Source:http://linkedlifedata.com/resource/chembl/compound/980415

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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/C17H12N2O6S2/c20-12-6-9(3-4-11(12)16(23)24)18-14(21)8-19-15(22)13(27-17(19)26)7-10-2-1-5-25-10/h1-7,20H,8H2,(H,18,21)(H,23,24)/b13-7-
chemicalCompound:standardIn...	PRGIOMDFWSHPTC-QPEQYQDCSA-N
chemicalCompound:canonicalS...	OC(=O)c1ccc(NC(=O)CN2C(=S)S\C(=C/c3occc3)\C2=O)cc1O
chemicalCompound:molecularF...	C17H12N2O6S2
chemicalCompound:moleculeId	980415
chemicalCompound:mwFreebase	404.417
chemicalCompound:alogp	2.466
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	177.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	3.031
chemicalCompound:acdLogP	3.167
chemicalCompound:acdLogD	0.019
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	404.417
chemicalCompound:chemblId	CHEMBL1556531
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1080415
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:3779896, activity:3938773, activity:4199267, activity:4293112, activity:4325124, activity:4362027, activity:4434416, activity:4926040, activity:4926678, activity:5461984, activity:5506866, activity:5526104, activity:5566807, activity:5567691, activity:5651156, activity:5681048, activity:5829815, activity:5963570, activity:5973543, activity:6458627, activity:6594786, activity:6996513, activity:7247893, activity:7366291, activity:7396470, activity:9546536, activity:10453120, activity:10577274, activity:10634140