1111204

Source:http://linkedlifedata.com/resource/chembl/compound/1111204

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1119976
chemicalCompound:standardIn...	InChI=1S/C22H28N2O3.ClH/c25-22(23-11-6-12-24-13-15-26-16-14-24)18-27-21-10-5-4-9-20(21)17-19-7-2-1-3-8-19;/h1-5,7-10H,6,11-18H2,(H,23,25);1H
chemicalCompound:standardIn...	YJBWYXKKEBEOLN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C(COc1ccccc1Cc2ccccc2)NCCCN3CCOCC3
chemicalCompound:molecularF...	C22H29ClN2O3
chemicalCompound:moleculeId	1111204
chemicalCompound:mwFreebase	368.469
chemicalCompound:alogp	2.736
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	50.8
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.166
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	404.93
chemicalCompound:acdMostBpk...	7.209
chemicalCompound:chemblId	CHEMBL1730473
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1211204
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:5513652, activity:5567666