267278

Source:http://linkedlifedata.com/resource/chembl/compound/267278

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C14H18Br2N2O2/c1-2-18-5-3-4-10(18)8-17-14(20)11-6-9(15)7-12(16)13(11)19/h6-7,10,19H,2-5,8H2,1H3,(H,17,20)/t10-/m0/s1
chemicalCompound:standardIn...	VCYBTCFFPYRJBP-JTQLQIEISA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2cc(Br)cc(Br)c2O
chemicalCompound:molecularF...	C14 H18 Br2 N2 O2
chemicalCompound:moleculeId	267278
chemicalCompound:mwFreebase	406.113
chemicalCompound:alogp	3.27
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	52.57
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.134
chemicalCompound:acdLogP	3.938
chemicalCompound:acdLogD	1.536
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	406.113
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL349416
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:367278
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:535799, activity:535800, activity:535801