379116

Source:http://linkedlifedata.com/resource/chembl/compound/379116

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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/C22H26Cl3N3O/c23-18-9-8-17(15-20(18)25)16-28-13-11-27(12-14-28)10-4-3-7-22(29)26-21-6-2-1-5-19(21)24/h1-2,5-6,8-9,15H,3-4,7,10-14,16H2,(H,26,29)
chemicalCompound:standardIn...	IWYHXBPUSLWDQN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(CN2CCN(CCCCC(=O)Nc3ccccc3Cl)CC2)cc1Cl
chemicalCompound:molecularF...	C22 H26 Cl3 N3 O
chemicalCompound:moleculeId	379116
chemicalCompound:mwFreebase	454.82
chemicalCompound:alogp	5.516
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.079
chemicalCompound:acdLogD	3.736
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	454.82
chemicalCompound:acdMostBpk...	7.523
chemicalCompound:chemblId	CHEMBL376836
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479116
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:1872022, activity:1872060, activity:1872088