641549

Source:http://linkedlifedata.com/resource/chembl/compound/641549

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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/C20H14N2O4S/c23-20-14-6-2-1-5-13(14)9-10-18(20)22-21-17-11-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+
chemicalCompound:standardIn...	YJKOJAOWELJIMM-QURGRASLSA-N
chemicalCompound:canonicalS...	Oc1c(ccc2ccccc12)N=Nc3ccc(c4ccccc34)S(=O)(=O)O
chemicalCompound:molecularF...	C20H14N2O4S
chemicalCompound:moleculeId	641549
chemicalCompound:mwFreebase	378.401
chemicalCompound:alogp	5.106
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	107.7
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-0.459
chemicalCompound:acdLogP	3.215
chemicalCompound:acdLogD	-0.285
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	378.401
chemicalCompound:chemblId	CHEMBL1160010
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:741549
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:996349, activity:996350, activity:996351