573572

Source:http://linkedlifedata.com/resource/chembl/compound/573572

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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/C18H21N3O3S/c1-3-24-18(22)15-13(2)16(14-7-5-4-6-8-14)25-17(15)19-20-21-9-11-23-12-10-21/h4-8H,3,9-12H2,1-2H3
chemicalCompound:standardIn...	RCOGMGFFZKIOTH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1c(C)c(sc1N=NN2CCOCC2)c3ccccc3
chemicalCompound:molecularF...	C18H21N3O3S
chemicalCompound:moleculeId	573572
chemicalCompound:mwFreebase	359.443
chemicalCompound:alogp	4.188
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	91.73
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.67
chemicalCompound:acdLogD	3.67
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	359.443
chemicalCompound:chemblId	CHEMBL566754
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:673572
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:2933244, activity:2934146