546555

Source:http://linkedlifedata.com/resource/chembl/compound/546555

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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:665309
chemicalCompound:standardIn...	InChI=1S/C16H25N2O8P.ClH/c1-4-25-27(22,26-5-2)16(17-8-10-24-11-9-17)12-6-7-13(19)15(23-3)14(12)18(20)21;/h6-7,16,19H,4-5,8-11H2,1-3H3;1H
chemicalCompound:standardIn...	GEGUIKWIIZAFCE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCOP(=O)(OCC)C(N1CCOCC1)c2ccc(O)c(OC)c2[N+](=O)[O-]
chemicalCompound:molecularF...	C16H26ClN2O8P
chemicalCompound:moleculeId	546555
chemicalCompound:mwFreebase	404.352
chemicalCompound:alogp	1.438
chemicalCompound:hba	9
chemicalCompound:hbd	1
chemicalCompound:psa	133.09
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.141
chemicalCompound:acdLogP	2.143
chemicalCompound:acdLogD	2.133
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	440.813
chemicalCompound:acdMostBpk...	3.472
chemicalCompound:chemblId	CHEMBL542446
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:646555
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:308214, activity:308215