310250

Source:http://linkedlifedata.com/resource/chembl/compound/310250

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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/C18H21Br2N3OS/c1-24-17-5-2-4-16(11-17)23-18(25)22-7-3-6-21-12-13-8-14(19)10-15(20)9-13/h2,4-5,8-11,21H,3,6-7,12H2,1H3,(H2,22,23,25)
chemicalCompound:standardIn...	DLJVVAZFPODEGX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(N\C(=N\CCCNCc2cc(Br)cc(Br)c2)\S)c1
chemicalCompound:molecularF...	C18 H21 Br2 N3 O S
chemicalCompound:moleculeId	310250
chemicalCompound:mwFreebase	487.252
chemicalCompound:alogp	4.959
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	84.45
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.009
chemicalCompound:acdLogP	5.708
chemicalCompound:acdLogD	2.734
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	487.252
chemicalCompound:acdMostBpk...	12.92
chemicalCompound:chemblId	CHEMBL184139
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:410250
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:1455343