799217

Source:http://linkedlifedata.com/resource/chembl/compound/799217

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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/C20H17N7O2S/c1-13(28)22-15-4-6-16(7-5-15)23-18(29)12-30-19-9-8-17-24-25-20(27(17)26-19)14-3-2-10-21-11-14/h2-11H,12H2,1H3,(H,22,28)(H,23,29)
chemicalCompound:standardIn...	WFAWVCVJPPDKNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(NC(=O)CSc2ccc3nnc(c4cccnc4)n3n2)cc1
chemicalCompound:molecularF...	C20H17N7O2S
chemicalCompound:moleculeId	799217
chemicalCompound:mwFreebase	419.46
chemicalCompound:alogp	1.465
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	139.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.214
chemicalCompound:acdLogP	1.925
chemicalCompound:acdLogD	1.925
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	419.46
chemicalCompound:acdMostBpk...	2.256
chemicalCompound:chemblId	CHEMBL1375333
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:899217
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:5036318, activity:5413965, activity:5570652, activity:5754837, activity:5857370, activity:8314028