212280

Source:http://linkedlifedata.com/resource/chembl/compound/212280

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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/C17H21N3O4/c1-11(21)18-8-14-9-20(17(22)24-14)12-4-5-15-16(7-12)23-10-13-3-2-6-19(13)15/h4-5,7,13-14H,2-3,6,8-10H2,1H3,(H,18,21)/t13-,14-/m0/s1
chemicalCompound:standardIn...	UMVLBDCDGWTXAE-KBPBESRZSA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc3N4CCC[C@H]4COc3c2
chemicalCompound:molecularF...	C17 H21 N3 O4
chemicalCompound:moleculeId	212280
chemicalCompound:mwFreebase	331.366
chemicalCompound:alogp	1.293
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	71.11
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.731
chemicalCompound:acdLogD	-1.569
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.366
chemicalCompound:acdMostBpk...	8.153
chemicalCompound:chemblId	CHEMBL128595
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:312280
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:1174013, activity:1174014, activity:1174015, activity:1174016, activity:1174017, activity:1174018, activity:1753195, activity:1753204, activity:1753213, activity:1753227, activity:1753233, activity:1753242