468625

Source:http://linkedlifedata.com/resource/chembl/compound/468625

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H18N2O4/c18-8-11-15(21)13(20)7-17(11)6-10-5-4-9-2-1-3-12(19)14(9)16-10/h1-5,11,13,15,18-21H,6-8H2/t11-,13+,15-/m1/s1
chemicalCompound:standardIn...	PTIZNJHJCXCCEI-OSAQELSMSA-N
chemicalCompound:canonicalS...	OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2ccc3cccc(O)c3n2
chemicalCompound:molecularF...	C15H18N2O4
chemicalCompound:moleculeId	468625
chemicalCompound:mwFreebase	290.314
chemicalCompound:alogp	0.349
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	97.05
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.984
chemicalCompound:acdLogP	0.949
chemicalCompound:acdLogD	-0.029
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	290.314
chemicalCompound:acdMostBpk...	10.02
chemicalCompound:chemblId	CHEMBL495287
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:568625
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:2452913, activity:3485467, activity:3485556, activity:3485620, activity:3487541, activity:3487596