68702

Source:http://linkedlifedata.com/resource/chembl/compound/68702

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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/C15H19N3O4/c1-10(19)11-4-6-12(7-5-11)18-9-13(22-15(18)21)8-16-14(20)17(2)3/h4-7,13H,8-9H2,1-3H3,(H,16,20)/t13-/m0/s1
chemicalCompound:standardIn...	QRMMKKQYECVULG-ZDUSSCGKSA-N
chemicalCompound:canonicalS...	CN(C)C(=O)NC[C@H]1CN(C(=O)O1)c2ccc(cc2)C(=O)C
chemicalCompound:molecularF...	C15 H19 N3 O4
chemicalCompound:moleculeId	68702
chemicalCompound:mwFreebase	305.329
chemicalCompound:alogp	0.78
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.95
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.301
chemicalCompound:acdLogP	0.788
chemicalCompound:acdLogD	0.787
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	305.329
chemicalCompound:chemblId	CHEMBL295758
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:168702
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:1015393, activity:1015394