871756

Source:http://linkedlifedata.com/resource/chembl/compound/871756

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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:1044711
chemicalCompound:standardIn...	InChI=1S/C22H27NO2.ClH/c1-2-16-25-20-12-10-19(11-13-20)22(24)21(17-23-14-6-7-15-23)18-8-4-3-5-9-18;/h3-5,8-13,21H,2,6-7,14-17H2,1H3;1H
chemicalCompound:standardIn...	JOVZASRFDBFFRH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCCOc1ccc(cc1)C(=O)C(CN2CCCC2)c3ccccc3
chemicalCompound:molecularF...	C22H28ClNO2
chemicalCompound:moleculeId	871756
chemicalCompound:mwFreebase	337.455
chemicalCompound:alogp	4.635
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	29.54
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.148
chemicalCompound:acdLogD	2.128
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	373.916
chemicalCompound:acdMostBpk...	9.453
chemicalCompound:chemblId	CHEMBL1447872
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:971756
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:3632510, activity:3788007, activity:3804339, activity:3833725, activity:3874981, activity:3954123, activity:4007162, activity:4010324, activity:4081895, activity:4209619, activity:4430865, activity:4467160, activity:4765426, activity:4982601, activity:5330874, activity:5337317, activity:5402949, activity:5406788, activity:5530745, activity:5572831, activity:5590310, activity:5650072, activity:5683452, activity:5692262, activity:5854298, activity:5881689, activity:5882115, activity:5959256, activity:5974279, activity:5983835, activity:6427451, activity:6577862, activity:6630458, activity:6678892, activity:6718767, activity:6770904, activity:6971446, activity:7056318, activity:7158248, activity:7272399, activity:7330321, activity:7540723, activity:8287461, activity:10306578, activity:10672938