418699

Source:http://linkedlifedata.com/resource/chembl/compound/418699

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/C23H31N3/c1-2-26(16-8-15-25-14-7-13-24)18-23-21-11-5-3-9-19(21)17-20-10-4-6-12-22(20)23/h3-6,9-12,17,25H,2,7-8,13-16,18,24H2,1H3
chemicalCompound:standardIn...	XROPLQDKCHMITN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CCCNCCCN)Cc1c2ccccc2cc3ccccc13
chemicalCompound:molecularF...	C23 H31 N3
chemicalCompound:moleculeId	418699
chemicalCompound:mwFreebase	349.512
chemicalCompound:alogp	2.967
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	41.29
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.633
chemicalCompound:acdLogD	0.45
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	349.512
chemicalCompound:acdMostBpk...	10.2
chemicalCompound:chemblId	CHEMBL251942
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518699
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:2066571, activity:2066578, activity:2066585, activity:2066592, activity:2066608, activity:2066617