379216

Source:http://linkedlifedata.com/resource/chembl/compound/379216

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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/C21H24Cl3N3O/c22-18-13-17(14-19(23)21(18)24)25-20(28)7-4-8-26-9-11-27(12-10-26)15-16-5-2-1-3-6-16/h1-3,5-6,13-14H,4,7-12,15H2,(H,25,28)
chemicalCompound:standardIn...	UIWATRPYPJGZGZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cc(NC(=O)CCCN2CCN(Cc3ccccc3)CC2)cc(Cl)c1Cl
chemicalCompound:molecularF...	C21 H24 Cl3 N3 O
chemicalCompound:moleculeId	379216
chemicalCompound:mwFreebase	440.794
chemicalCompound:alogp	5.059
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.759
chemicalCompound:acdLogP	5.051
chemicalCompound:acdLogD	4.747
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	440.794
chemicalCompound:acdMostBpk...	7.348
chemicalCompound:chemblId	CHEMBL225717
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479216
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:1871963