379166

Source:http://linkedlifedata.com/resource/chembl/compound/379166

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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/C21H25Cl2N3O/c22-18-8-9-20(19(23)15-18)24-21(27)7-4-10-25-11-13-26(14-12-25)16-17-5-2-1-3-6-17/h1-3,5-6,8-9,15H,4,7,10-14,16H2,(H,24,27)
chemicalCompound:standardIn...	SPKBJLIQPBEEMR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(NC(=O)CCCN2CCN(Cc3ccccc3)CC2)c(Cl)c1
chemicalCompound:molecularF...	C21 H25 Cl2 N3 O
chemicalCompound:moleculeId	379166
chemicalCompound:mwFreebase	406.349
chemicalCompound:alogp	4.395
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.171
chemicalCompound:acdLogP	3.547
chemicalCompound:acdLogD	3.238
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	406.349
chemicalCompound:acdMostBpk...	7.361
chemicalCompound:chemblId	CHEMBL225987
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479166
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:1872005, activity:1872043, activity:1872071