29640

Source:http://linkedlifedata.com/resource/chembl/compound/29640

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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/C15H21N3O5/c1-3-17-8-4-5-10(17)9-16-15(20)13-12(23-2)7-6-11(14(13)19)18(21)22/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,16,20)/t10-/m0/s1
chemicalCompound:standardIn...	CQEIHZMCJGGOEX-JTQLQIEISA-N
chemicalCompound:canonicalS...	CCN1CCC[C@H]1CNC(=O)c2c(O)c(ccc2OC)[N+](=O)[O-]
chemicalCompound:molecularF...	C15 H21 N3 O5
chemicalCompound:moleculeId	29640
chemicalCompound:mwFreebase	323.344
chemicalCompound:alogp	1.651
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	107.62
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	5.358
chemicalCompound:acdLogP	2.476
chemicalCompound:acdLogD	-0.016
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	323.344
chemicalCompound:acdMostBpk...	8.97
chemicalCompound:chemblId	CHEMBL279982
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129640
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:61897, activity:61898, activity:61899, activity:273084, activity:273085, activity:273086, activity:273087