546470

Source:http://linkedlifedata.com/resource/chembl/compound/546470

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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:665307
chemicalCompound:standardIn...	InChI=1S/C17H29N2O5P.ClH/c1-5-23-25(21,24-6-2)17(19-11-9-18(3)10-12-19)14-7-8-15(20)16(13-14)22-4;/h7-8,13,17,20H,5-6,9-12H2,1-4H3;1H
chemicalCompound:standardIn...	WTZFIBQKJGLUQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOP(=O)(OCC)C(N1CCN(C)CC1)c2ccc(O)c(OC)c2
chemicalCompound:molecularF...	C17H30ClN2O5P
chemicalCompound:moleculeId	546470
chemicalCompound:mwFreebase	372.396
chemicalCompound:alogp	1.813
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	81.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.918
chemicalCompound:acdLogP	0.798
chemicalCompound:acdLogD	0.557
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.857
chemicalCompound:acdMostBpk...	7.323
chemicalCompound:chemblId	CHEMBL542444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646470
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:304284, activity:304285