964432

Source:http://linkedlifedata.com/resource/chembl/compound/964432

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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/C15H19N3O6/c1-2-23-15(20)17-9-7-16(8-10-17)14(19)11-24-13-5-3-12(4-6-13)18(21)22/h3-6H,2,7-11H2,1H3
chemicalCompound:standardIn...	AEJAVXGKESTPNP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)N1CCN(CC1)C(=O)COc2ccc(cc2)[N+](=O)[O-]
chemicalCompound:molecularF...	C15H19N3O6
chemicalCompound:moleculeId	964432
chemicalCompound:mwFreebase	337.328
chemicalCompound:alogp	1.182
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	104.9
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.328
chemicalCompound:acdMostBpk...	0.124
chemicalCompound:chemblId	CHEMBL1540548
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1064432
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:3796030, activity:4349491, activity:4628703, activity:6453983, activity:6528643, activity:6947464