131003

Source:http://linkedlifedata.com/resource/chembl/compound/131003

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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/C11H16N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)
chemicalCompound:standardIn...	XACKNLSZYYIACO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O
chemicalCompound:molecularF...	C11 H16 N2 O5
chemicalCompound:moleculeId	131003
chemicalCompound:mwFreebase	256.255
chemicalCompound:alogp	-0.782
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	99.1
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.536
chemicalCompound:acdLogP	-0.334
chemicalCompound:acdLogD	-0.337
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	256.255
chemicalCompound:chemblId	CHEMBL433324
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:231003
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:75634, activity:75635, activity:75636, activity:75637, activity:75638, activity:75639, activity:75640, activity:75641, activity:163052, activity:163053, activity:163054, activity:208190, activity:208191, activity:543642, activity:543643, activity:543644, activity:543645, activity:543646, activity:543647, activity:543648, activity:543649, activity:543650, activity:543651, activity:543652, activity:543653, activity:599707, activity:599708, activity:632903, activity:632904, activity:632905, activity:632906, activity:632907, activity:632908, activity:1058380, activity:1058381, activity:1058382, activity:1058383, activity:1058384, activity:1058385, activity:1058386, activity:1200091, activity:1200092, activity:1200093, activity:1200094, activity:1200095, activity:1200096, activity:1200097, activity:5691673, activity:5790421, activity:5878491, activity:5977865, activity:7065655