1162592

Source:http://linkedlifedata.com/resource/chembl/compound/1162592

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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/C12H10N2O4S/c1-18-11(17)9-6-13-12(19-9)14-10(16)7-4-2-3-5-8(7)15/h2-6,15H,1H3,(H,13,14,16)
chemicalCompound:standardIn...	NVEDQXMZXVLNHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC(=O)c1cnc(NC(=O)c2ccccc2O)s1
chemicalCompound:molecularF...	C12H10N2O4S
chemicalCompound:moleculeId	1162592
chemicalCompound:mwFreebase	278.284
chemicalCompound:alogp	1.516
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	116.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.185
chemicalCompound:acdLogP	2.961
chemicalCompound:acdLogD	2.398
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	278.284
chemicalCompound:acdMostBpk...	0.397
chemicalCompound:chemblId	CHEMBL1801517
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1262592
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:6273202, activity:6273214, activity:6273237, activity:6273869