842634

Source:http://linkedlifedata.com/resource/chembl/compound/842634

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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/C20H24BrCl2NO3/c1-4-26-18-8-13(10-24-20(2,3)12-25)7-16(21)19(18)27-11-14-5-6-15(22)9-17(14)23/h5-9,24-25H,4,10-12H2,1-3H3
chemicalCompound:standardIn...	FVSMZXPZIKTWEG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc2ccc(Cl)cc2Cl
chemicalCompound:molecularF...	C20H24BrCl2NO3
chemicalCompound:moleculeId	842634
chemicalCompound:mwFreebase	477.219
chemicalCompound:alogp	5.387
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	50.72
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.555
chemicalCompound:acdLogD	4.012
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	477.219
chemicalCompound:acdMostBpk...	7.86
chemicalCompound:chemblId	CHEMBL1418750
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:942634
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:3630498, activity:3772083, activity:3802915, activity:3954108, activity:4007147, activity:4080707, activity:4205617, activity:4358950, activity:4412201, activity:4413380, activity:4413503, activity:4539753, activity:4686456, activity:4813522, activity:4904477, activity:4974608, activity:4988702, activity:5018736, activity:5329579, activity:5402865, activity:5409205, activity:5530698, activity:5650055, activity:5652982, activity:5854280, activity:5863355, activity:5959179, activity:6570212, activity:7033630, activity:7165505, activity:7305128, activity:7363022, activity:7508613