1122788

Source:http://linkedlifedata.com/resource/chembl/compound/1122788

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:258972
chemicalCompound:standardIn...	InChI=1S/C14H9N3O4S.C2H7NO/c18-12(13(19)20)16-14-15-10(7-22-14)9-6-11(21-17-9)8-4-2-1-3-5-8;3-1-2-4/h1-7H,(H,19,20)(H,15,16,18);4H,1-3H2
chemicalCompound:standardIn...	NJAABSUPUGZHHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCO.OC(=O)C(=O)Nc1nc(cs1)c2cc(on2)c3ccccc3
chemicalCompound:molecularF...	C16H16N4O5S
chemicalCompound:moleculeId	1122788
chemicalCompound:mwFreebase	315.304
chemicalCompound:alogp	2.362
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	133.55
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-1.155
chemicalCompound:acdLogP	3.079
chemicalCompound:acdLogD	-0.673
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	376.387
chemicalCompound:chemblId	CHEMBL1744217
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1222788
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:947544, activity:947545