659

Source:http://linkedlifedata.com/resource/chembl/compound/659

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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/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3
chemicalCompound:standardIn...	FCSKOFQQCWLGMV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(CCCCCOc2ccc(cc2Cl)C3=NCCO3)on1
chemicalCompound:molecularF...	C18H21ClN2O3
chemicalCompound:moleculeId	659
chemicalCompound:mwFreebase	348.824
chemicalCompound:alogp	4.292
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	56.85
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.257
chemicalCompound:acdLogD	4.256
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	348.824
chemicalCompound:acdMostBpk...	4.501
chemicalCompound:chemblId	CHEMBL6444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100659
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47727
chemicalCompound:activity	activity:178675, activity:698100, activity:698101, activity:698102, activity:739511, activity:739512, activity:739513, activity:739514, activity:739515, activity:739516, activity:739517, activity:739518, activity:739519, activity:739520, activity:739521, activity:739522, activity:739523, activity:739524, activity:739525, activity:739526, activity:739527, activity:739528, activity:739529, activity:739530, activity:1065127, activity:1206716