194887

Source:http://linkedlifedata.com/resource/chembl/compound/194887

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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/C22H25NO3/c1-22(2,3)23-12-7-13-25-17-10-11-18-20(14-17)26-15-19(21(18)24)16-8-5-4-6-9-16/h4-6,8-11,14-15,23H,7,12-13H2,1-3H3
chemicalCompound:standardIn...	URQQGZPQEZDFDR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)NCCCOc1ccc2C(=O)C(=COc2c1)c3ccccc3
chemicalCompound:molecularF...	C22 H25 N O3
chemicalCompound:moleculeId	194887
chemicalCompound:mwFreebase	351.439
chemicalCompound:alogp	3.446
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	47.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.331
chemicalCompound:acdLogD	1.746
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	351.439
chemicalCompound:acdMostBpk...	10.142
chemicalCompound:chemblId	CHEMBL324556
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:294887
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:783010