379140

Source:http://linkedlifedata.com/resource/chembl/compound/379140

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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/C21H26ClN3O/c22-19-8-10-20(11-9-19)23-21(26)7-4-12-24-13-15-25(16-14-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2,(H,23,26)
chemicalCompound:standardIn...	PQACGVZVBISRFG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=O)CCCN2CCN(Cc3ccccc3)CC2)cc1
chemicalCompound:molecularF...	C21 H26 Cl N3 O
chemicalCompound:moleculeId	379140
chemicalCompound:mwFreebase	371.904
chemicalCompound:alogp	3.731
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.469
chemicalCompound:acdLogD	3.153
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.904
chemicalCompound:acdMostBpk...	7.378
chemicalCompound:chemblId	CHEMBL224863
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479140
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:1872014, activity:1872052, activity:1872080