99165

Source:http://linkedlifedata.com/resource/chembl/compound/99165

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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/C9H13NO5/c11-7(3-4-8(12)13)10-5-1-2-6(10)9(14)15/h6H,1-5H2,(H,12,13)(H,14,15)
chemicalCompound:standardIn...	NEBOPDYAXPDYHQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)CCC(=O)N1CCCC1C(=O)O
chemicalCompound:molecularF...	C9 H13 N O5
chemicalCompound:moleculeId	99165
chemicalCompound:mwFreebase	215.203
chemicalCompound:alogp	-0.498
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	94.91
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.534
chemicalCompound:acdLogP	0.069
chemicalCompound:acdLogD	-4.667
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	215.203
chemicalCompound:chemblId	CHEMBL302840
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:199165
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:96371, activity:1182835, activity:3939665, activity:4593946, activity:4742021, activity:4917762, activity:5733061, activity:5779249, activity:5876659, activity:6806393, activity:6835255