157589

Source:http://linkedlifedata.com/resource/chembl/compound/157589

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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:653702
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-3-23(4-2)16-15-18-17-25-22(21(18)24,19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,18H,3-4,15-17H2,1-2H3;1H
chemicalCompound:standardIn...	IHFRKRHQARGMLK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN(CC)CCC1COC(C1=O)(c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	157589
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	3.9
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.894
chemicalCompound:acdLogD	2.286
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	10.176
chemicalCompound:chemblId	CHEMBL98190
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:257589
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:626432, activity:626433