677616

Source:http://linkedlifedata.com/resource/chembl/compound/677616

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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:263957
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-2-8-20(9-3-1)12-13-21-10-4-5-11-22(21)25-17-7-6-14-23-15-18-24-19-16-23;/h1-5,8-13H,6-7,14-19H2;1H/b13-12+;
chemicalCompound:standardIn...	KAYBFSYZRGINRJ-UEIGIMKUSA-N
chemicalCompound:canonicalS...	Cl.C(CCN1CCOCC1)COc2ccccc2\C=C\c3ccccc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	677616
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	4.268
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	21.7
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.843
chemicalCompound:acdLogD	3.529
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	7.427
chemicalCompound:chemblId	CHEMBL1203665
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777616
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:1297789, activity:1297790