310531

Source:http://linkedlifedata.com/resource/chembl/compound/310531

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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/C17H18Br2FN3S/c18-13-8-12(9-14(19)10-13)11-21-6-3-7-22-17(24)23-16-5-2-1-4-15(16)20/h1-2,4-5,8-10,21H,3,6-7,11H2,(H2,22,23,24)
chemicalCompound:standardIn...	NDZURRBFGBRSNR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccccc1\N=C(/S)\NCCCNCc2cc(Br)cc(Br)c2
chemicalCompound:molecularF...	C17 H18 Br2 F N3 S
chemicalCompound:moleculeId	310531
chemicalCompound:mwFreebase	475.216
chemicalCompound:alogp	5.181
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	75.22
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.126
chemicalCompound:acdLogD	1.943
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	475.216
chemicalCompound:acdMostBpk...	11.959
chemicalCompound:chemblId	CHEMBL364192
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410531
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:1455336