677044

Source:http://linkedlifedata.com/resource/chembl/compound/677044

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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:182309
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c24-22(25-18-17-23-15-9-1-2-10-16-23)21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,21H,1-2,9-10,15-18H2;1H
chemicalCompound:standardIn...	BCITYYPXRYCJKV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.O=C(OCCN1CCCCCC1)C(c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	677044
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	4.727
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.815
chemicalCompound:acdLogD	3.799
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	8.376
chemicalCompound:chemblId	CHEMBL1203093
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:777044
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:884585, activity:884586, activity:884587