109791

Source:http://linkedlifedata.com/resource/chembl/compound/109791

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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/C19H19N2O3PS2/c1-2-24-25(23,21-11-12-26-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
chemicalCompound:standardIn...	LXPVOXKIKAAFJW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOP(=O)(Cc1ccc(cc1)c2nc3ccccc3s2)N4CCSC4=O
chemicalCompound:molecularF...	C19 H19 N2 O3 P S2
chemicalCompound:moleculeId	109791
chemicalCompound:mwFreebase	418.47
chemicalCompound:alogp	3.985
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	122.85
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.983
chemicalCompound:acdLogD	3.983
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	418.47
chemicalCompound:acdMostBpk...	0.708
chemicalCompound:chemblId	CHEMBL303662
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:209791
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:542010, activity:542011, activity:542012, activity:542013, activity:542014