927736

Source:http://linkedlifedata.com/resource/chembl/compound/927736

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C17H12N2O6S2/c20-12-4-3-9(6-11(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...	QSKUWLRFJPOFNP-QPEQYQDCSA-N
chemicalCompound:canonicalS...	OC(=O)c1cc(NC(=O)CN2C(=S)S\C(=C/c3occc3)\C2=O)ccc1O
chemicalCompound:molecularF...	C17H12N2O6S2
chemicalCompound:moleculeId	927736
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...	2.96
chemicalCompound:acdLogP	2.685
chemicalCompound:acdLogD	-0.462
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	404.417
chemicalCompound:acdMostBpk...	0.794
chemicalCompound:chemblId	CHEMBL1503852
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1027736
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:3950333, activity:4233460, activity:4318455, activity:4348333, activity:4382439, activity:4417295, activity:5027350, activity:5344518, activity:5357891, activity:5559759, activity:5567595, activity:5663442, activity:5686128, activity:5694715, activity:5798658, activity:5962730, activity:5977073, activity:6588852, activity:6671567, activity:6897856, activity:6985061, activity:7032889, activity:7067417, activity:7421677, activity:7552373, activity:7554809, activity:10414862