1005722

Source:http://linkedlifedata.com/resource/chembl/compound/1005722

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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/C23H22ClN3O3/c24-18-5-3-17(4-6-18)16-22(28)25-19-7-9-20(10-8-19)26-11-13-27(14-12-26)23(29)21-2-1-15-30-21/h1-10,15H,11-14,16H2,(H,25,28)
chemicalCompound:standardIn...	NYEVYEFQFWJZHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(CC(=O)Nc2ccc(cc2)N3CCN(CC3)C(=O)c4occc4)cc1
chemicalCompound:molecularF...	C23H22ClN3O3
chemicalCompound:moleculeId	1005722
chemicalCompound:mwFreebase	423.892
chemicalCompound:alogp	3.752
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	65.79
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.474
chemicalCompound:acdLogD	3.474
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.892
chemicalCompound:acdMostBpk...	4.476
chemicalCompound:chemblId	CHEMBL1581838
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1105722
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:4049693, activity:4232188, activity:4429221, activity:4533422, activity:4624265, activity:5035159, activity:5686402, activity:5869607, activity:6726303, activity:6992516, activity:7169276, activity:7251110, activity:7491056, activity:8278473, activity:10306604, activity:10608081