546104

Source:http://linkedlifedata.com/resource/chembl/compound/546104

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:145796
chemicalCompound:standardIn...	InChI=1S/C24H33N3.ClH/c25-14-6-9-16-26-15-7-1-8-17-27-19-24-22-12-4-2-10-20(22)18-21-11-3-5-13-23(21)24;/h2-5,10-13,18,26-27H,1,6-9,14-17,19,25H2;1H
chemicalCompound:standardIn...	WUCIVANZHRSBQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.NCCCCNCCCCCNCc1c2ccccc2cc3ccccc13
chemicalCompound:molecularF...	C24H34ClN3
chemicalCompound:moleculeId	546104
chemicalCompound:mwFreebase	363.539
chemicalCompound:alogp	3.699
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	50.08
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.35
chemicalCompound:acdLogD	-0.704
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	400
chemicalCompound:acdMostBpk...	10.654
chemicalCompound:chemblId	CHEMBL545253
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646104
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:1071941, activity:1071942, activity:1071943, activity:1071944, activity:1071945, activity:1071946, activity:1071947