864391

Source:http://linkedlifedata.com/resource/chembl/compound/864391

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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/C13H16ClNO/c1-15(13(16)9-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-3,5,7,12H,4,6,8-9H2,1H3
chemicalCompound:standardIn...	FLTYMFJRZLOGIY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C1CCCc2ccccc12)C(=O)CCl
chemicalCompound:molecularF...	C13H16ClNO
chemicalCompound:moleculeId	864391
chemicalCompound:mwFreebase	237.725
chemicalCompound:alogp	2.711
chemicalCompound:hba	1
chemicalCompound:hbd	0
chemicalCompound:psa	20.31
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	Y
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.052
chemicalCompound:acdLogD	2.052
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	237.725
chemicalCompound:chemblId	CHEMBL1440507
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:964391
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:3755982, activity:3828452, activity:4145292, activity:4226074, activity:4298714, activity:4798488, activity:4953694, activity:5397283, activity:5514318, activity:5580216, activity:5794435, activity:5801181, activity:6483063, activity:6728991, activity:6813140, activity:6983125, activity:7043643, activity:7092270, activity:7274298, activity:9782642