5583

Source:http://linkedlifedata.com/resource/chembl/compound/5583

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:5583_CLOFILIUM_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C21H37ClN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h14-17H,4-13,18-19H2,1-3H3/q+1
chemicalCompound:standardIn...	WPSYTTKBGAZSCX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1
chemicalCompound:molecularF...	C21 H37 Cl N
chemicalCompound:moleculeId	5583
chemicalCompound:mwFreebase	338.978
chemicalCompound:alogp	5.841
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	0.317
chemicalCompound:acdLogD	0.317
chemicalCompound:fullMwt	338.978
chemicalCompound:chemblId	CHEMBL9484
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105583
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLOFILIUM
chemicalCompound:activity	activity:171613, activity:171614, activity:171615, activity:171616, activity:171617, activity:385103, activity:385104, activity:385105, activity:385106, activity:385107, activity:385108, activity:385109, activity:385110, activity:385111, activity:589471, activity:589472, activity:589473, activity:753672, activity:1449624, activity:5219052