544288

Source:http://linkedlifedata.com/resource/chembl/compound/544288

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:665434
chemicalCompound:standardIn...	InChI=1S/C15H22FNO.ClH/c1-3-7-17(8-4-2)14-10-12(14)13-9-11(16)5-6-15(13)18;/h5-6,9,12,14,18H,3-4,7-8,10H2,1-2H3;1H/t12-,14+;/m1./s1
chemicalCompound:standardIn...	AEXJVJBZDNXZKT-OJMBIDBESA-N
chemicalCompound:canonicalS...	Cl.CCCN(CCC)[C@H]1C[C@@H]1c2cc(F)ccc2O
chemicalCompound:molecularF...	C15H23ClFNO
chemicalCompound:moleculeId	544288
chemicalCompound:mwFreebase	251.34
chemicalCompound:alogp	3.869
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	23.47
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.283
chemicalCompound:acdLogP	3.152
chemicalCompound:acdLogD	1.941
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	287.801
chemicalCompound:acdMostBpk...	8.555
chemicalCompound:chemblId	CHEMBL542589
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644288
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:580506