145538

Source:http://linkedlifedata.com/resource/chembl/compound/145538

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H27N3/c22-11-5-12-23-13-6-14-24-16-21-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)21/h1-4,7-10,15,23-24H,5-6,11-14,16,22H2
chemicalCompound:standardIn...	VCVQHCFDEPZGRW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NCCCNCCCNCc1c2ccccc2cc3ccccc13
chemicalCompound:molecularF...	C21 H27 N3
chemicalCompound:moleculeId	145538
chemicalCompound:mwFreebase	321.459
chemicalCompound:alogp	2.083
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	50.08
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.81
chemicalCompound:acdLogD	-0.569
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	321.459
chemicalCompound:acdMostBpk...	10.219
chemicalCompound:chemblId	CHEMBL89918
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:245538
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:711136, activity:711137, activity:711138, activity:711139, activity:711140, activity:711141, activity:711142, activity:2066572, activity:2066579, activity:2066586, activity:2066593, activity:2066609, activity:2066618