259287

Source:http://linkedlifedata.com/resource/chembl/compound/259287

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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/C19H19N3O5S/c1-3-25-9-10-26-18(24)17(23)21-19-20-14(11-28-19)15-12(2)27-22-16(15)13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,20,21,23)
chemicalCompound:standardIn...	NCTXKYKTQINZBA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOCCOC(=O)C(=O)Nc1nc(cs1)c2c(C)onc2c3ccccc3
chemicalCompound:molecularF...	C19 H19 N3 O5 S
chemicalCompound:moleculeId	259287
chemicalCompound:mwFreebase	401.436
chemicalCompound:alogp	2.66
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	131.79
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.224
chemicalCompound:acdLogP	3.923
chemicalCompound:acdLogD	1.951
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	401.436
chemicalCompound:chemblId	CHEMBL422689
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:359287
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:955430, activity:955431