619718

Source:http://linkedlifedata.com/resource/chembl/compound/619718

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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/C21H21NO6/c1-4-26-21(23)18-19(12-8-9-14-16(10-12)28-11-27-14)22-13-6-5-7-15(24-2)17(13)20(18)25-3/h5-10,20,22H,4,11H2,1-3H3
chemicalCompound:standardIn...	TUFPQRMMEQVCBO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1=C(Nc2cccc(OC)c2C1OC)c3ccc4OCOc4c3
chemicalCompound:molecularF...	C21H21NO6
chemicalCompound:moleculeId	619718
chemicalCompound:mwFreebase	383.395
chemicalCompound:alogp	2.889
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	75.25
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.873
chemicalCompound:acdLogD	5.873
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	383.395
chemicalCompound:chemblId	CHEMBL1091102
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:719718
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:3241665, activity:3241683, activity:3241705, activity:3241712, activity:3241780, activity:3262320, activity:3262367, activity:3262414, activity:3262461, activity:3262508