192769

Source:http://linkedlifedata.com/resource/chembl/compound/192769

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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/C22H32N2O2/c1-3-23(4-2)16-19-9-5-6-13-24(19)22(26)15-17-11-12-20-18(14-17)8-7-10-21(20)25/h11-12,14,19H,3-10,13,15-16H2,1-2H3/t19-/m0/s1
chemicalCompound:standardIn...	BKROBACPXAZIEF-IBGZPJMESA-N
chemicalCompound:canonicalS...	CCN(CC)C[C@@H]1CCCCN1C(=O)Cc2ccc3C(=O)CCCc3c2
chemicalCompound:molecularF...	C22 H32 N2 O2
chemicalCompound:moleculeId	192769
chemicalCompound:mwFreebase	356.502
chemicalCompound:alogp	3.582
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.24
chemicalCompound:acdLogD	-0.54
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	356.502
chemicalCompound:acdMostBpk...	10.462
chemicalCompound:chemblId	CHEMBL119473
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:292769
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:1117858, activity:1117859, activity:1117860, activity:1117861