881520

Source:http://linkedlifedata.com/resource/chembl/compound/881520

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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/C12H11N5O2S3/c1-19-6-2-3-7-8(4-6)21-11(14-7)15-9(18)5-20-12-17-16-10(13)22-12/h2-4H,5H2,1H3,(H2,13,16)(H,14,15,18)
chemicalCompound:standardIn...	FNSOAGXPCPYPNT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc2nc(NC(=O)CSc3nnc(N)s3)sc2c1
chemicalCompound:molecularF...	C12H11N5O2S3
chemicalCompound:moleculeId	881520
chemicalCompound:mwFreebase	353.443
chemicalCompound:alogp	1.886
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	184.8
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.53
chemicalCompound:acdLogP	2.542
chemicalCompound:acdLogD	2.498
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	353.443
chemicalCompound:acdMostBpk...	2.072
chemicalCompound:chemblId	CHEMBL1457636
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:981520
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:3832905, activity:3872969, activity:4414156, activity:4731999, activity:5540445, activity:5870298, activity:6562671, activity:7029883, activity:7161605, activity:7410592