294988

Source:http://linkedlifedata.com/resource/chembl/compound/294988

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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/C22H24N2O6/c1-28-15-5-2-13(3-6-15)22-16(9-21(26)27)17(10-24(22)11-20(23)25)14-4-7-18-19(8-14)30-12-29-18/h2-8,16-17,22H,9-12H2,1H3,(H2,23,25)(H,26,27)/t16-,17-,22+/m0/s1
chemicalCompound:standardIn...	VRTFVTFEFOLEOS-PNLZDCPESA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2[C@@H](CC(=O)O)[C@@H](CN2CC(=O)N)c3ccc4OCOc4c3
chemicalCompound:molecularF...	C22 H24 N2 O6
chemicalCompound:moleculeId	294988
chemicalCompound:mwFreebase	412.436
chemicalCompound:alogp	-1.187
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	111.32
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.434
chemicalCompound:acdLogP	2.01
chemicalCompound:acdLogD	-0.575
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	412.436
chemicalCompound:acdMostBpk...	7.271
chemicalCompound:chemblId	CHEMBL177999
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:394988
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:975598