1000579

Source:http://linkedlifedata.com/resource/chembl/compound/1000579

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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:1048818
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-13-4-3-9-18(10-13)11-16(20)12-21-17-7-5-15(6-8-17)14(2)19;/h5-8,13,16,20H,3-4,9-12H2,1-2H3;1H
chemicalCompound:standardIn...	JASZUAMVSZPOHT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1CCCN(CC(O)COc2ccc(cc2)C(=O)C)C1
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	1000579
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	2.417
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.955
chemicalCompound:acdLogP	2.074
chemicalCompound:acdLogD	0.47
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	8.981
chemicalCompound:chemblId	CHEMBL1576695
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1100579
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:4199894, activity:4738714, activity:6743574, activity:7266071