1175612

Source:http://linkedlifedata.com/resource/chembl/compound/1175612

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/C17H22N2O2/c1-13(2)8-7-9-14(3)12-16-19-21-17(4,20-16)15-10-5-6-11-18-15/h5-6,8,10-12H,7,9H2,1-4H3/b14-12+
chemicalCompound:standardIn...	LAQILMUUHCCXCK-WYMLVPIESA-N
chemicalCompound:canonicalS...	CC(=CCC\C(=C\C1=NOC(C)(O1)c2ccccn2)\C)C
chemicalCompound:molecularF...	C17H22N2O2
chemicalCompound:moleculeId	1175612
chemicalCompound:mwFreebase	286.369
chemicalCompound:alogp	4.319
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	43.71
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.996
chemicalCompound:acdLogD	3.996
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.369
chemicalCompound:acdMostBpk...	3.025
chemicalCompound:chemblId	CHEMBL1828921
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1275612
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:6364334, activity:6364336, activity:6364392