1037216

Source:http://linkedlifedata.com/resource/chembl/compound/1037216

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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:1049365
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-2-17(20)14-6-8-16(9-7-14)21-13-15(19)12-18-10-4-3-5-11-18;/h6-9,15,19H,2-5,10-13H2,1H3;1H
chemicalCompound:standardIn...	CDVYXOALRFFUAA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCC(=O)c1ccc(OCC(O)CN2CCCCC2)cc1
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	1037216
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	2.765
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.953
chemicalCompound:acdLogP	2.048
chemicalCompound:acdLogD	0.478
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	8.945
chemicalCompound:chemblId	CHEMBL1613332
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1137216
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:4006624, activity:4111892, activity:4171241, activity:4568294, activity:5059768, activity:5995272, activity:6010979, activity:6037076, activity:6039410, activity:6040344, activity:6927672