1159679

Source:http://linkedlifedata.com/resource/chembl/compound/1159679

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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/C18H20N4O5S/c1-10(23)20-13-7-11-12(8-16(13)26-3)22-18(21-11)28(24)9-14-17(27-4)15(25-2)5-6-19-14/h5-8H,9H2,1-4H3,(H,20,23)(H,21,22)
chemicalCompound:standardIn...	MSFTVVFJFDCIAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nc([nH]c2cc1NC(=O)C)S(=O)Cc3nccc(OC)c3OC
chemicalCompound:molecularF...	C18H20N4O5S
chemicalCompound:moleculeId	1159679
chemicalCompound:mwFreebase	404.44
chemicalCompound:alogp	1.036
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	134.64
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.692
chemicalCompound:acdLogP	0.023
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.44
chemicalCompound:acdMostBpk...	3.514
chemicalCompound:chemblId	CHEMBL1796628
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259679
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:6260107