418718

Source:http://linkedlifedata.com/resource/chembl/compound/418718

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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/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22-/m1/s1
chemicalCompound:standardIn...	DDNCQMVWWZOMLN-IFMALSPDSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=C[C@@]2(CC)CCCN3CCc4c([C@H]23)n1c5ccccc45
chemicalCompound:molecularF...	C22 H26 N2 O2
chemicalCompound:moleculeId	418718
chemicalCompound:mwFreebase	350.454
chemicalCompound:alogp	4.294
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	34.47
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.978
chemicalCompound:acdLogD	3.382
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	350.454
chemicalCompound:acdMostBpk...	7.871
chemicalCompound:chemblId	CHEMBL254015
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:518718
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:2067510, activity:2067530