515508

Source:http://linkedlifedata.com/resource/chembl/compound/515508

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/C24H26N2O3/c1-19-8-12-21(13-9-19)26(23-6-2-3-16-25-23)17-18-29-22-14-10-20(11-15-22)5-4-7-24(27)28/h2-3,6,8-16H,4-5,7,17-18H2,1H3,(H,27,28)
chemicalCompound:standardIn...	KUZOSLBUKHMHNI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1ccc(cc1)N(CCOc2ccc(CCCC(=O)O)cc2)c3ccccn3
chemicalCompound:molecularF...	C24H26N2O3
chemicalCompound:moleculeId	515508
chemicalCompound:mwFreebase	390.475
chemicalCompound:alogp	5.032
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	62.66
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.766
chemicalCompound:acdLogP	5.809
chemicalCompound:acdLogD	3.211
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	390.475
chemicalCompound:acdMostBpk...	5.557
chemicalCompound:chemblId	CHEMBL463784
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:615508
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:2383162, activity:2383189