549139

Source:http://linkedlifedata.com/resource/chembl/compound/549139

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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:281155
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-23-18-13-19(15-20(23)21(14-18)24-2)25-22(16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18-22H,13-15H2,1-2H3;1H/t18?,19-,20?,21-;/m0./s1
chemicalCompound:standardIn...	KYZSTRAQAABJLW-JZPCNNKFSA-N
chemicalCompound:canonicalS...	Cl.CO[C@H]1CC2C[C@@H](CC1N2C)OC(c3ccccc3)c4ccccc4
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	549139
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	3.193
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	21.7
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.464
chemicalCompound:acdLogD	1.642
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	9.238
chemicalCompound:chemblId	CHEMBL534927
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:649139
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:1504967, activity:1504968, activity:1504969