1329385

Source:http://linkedlifedata.com/resource/chembl/compound/1329385

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C18H14N2O6S/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23/h2-9,21H,1H3,(H,22,23)(H,24,25,26)/b20-19+
chemicalCompound:standardIn...	JYNBEDVXQNFTOX-FMQUCBEESA-N
chemicalCompound:canonicalS...	Cc1ccc(N=Nc2c(O)c(cc3ccccc23)C(=O)O)c(c1)S(=O)(=O)O
chemicalCompound:molecularF...	C18H14N2O6S
chemicalCompound:moleculeId	1329385
chemicalCompound:mwFreebase	386.379
chemicalCompound:alogp	4.314
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	145
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-1.129
chemicalCompound:acdLogP	2.581
chemicalCompound:acdLogD	-1.919
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	386.379
chemicalCompound:chemblId	CHEMBL2008134
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1429385
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No