619936

Source:http://linkedlifedata.com/resource/chembl/compound/619936

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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/C20H19Cl2N3OS/c21-12-8-7-10(9-13(12)22)15-11-5-3-1-2-4-6-14(11)25-20-16(15)17(23)18(27-20)19(24)26/h7-9H,1-6,23H2,(H2,24,26)
chemicalCompound:standardIn...	CZAUGMIDUYZWHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)c1sc2nc3CCCCCCc3c(c4ccc(Cl)c(Cl)c4)c2c1N
chemicalCompound:molecularF...	C20H19Cl2N3OS
chemicalCompound:moleculeId	619936
chemicalCompound:mwFreebase	420.355
chemicalCompound:alogp	5.567
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	110.24
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.746
chemicalCompound:acdLogD	6.745
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	420.355
chemicalCompound:acdMostBpk...	4.926
chemicalCompound:chemblId	CHEMBL1093057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719936
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:3252489