937785

Source:http://linkedlifedata.com/resource/chembl/compound/937785

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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/C22H21NO3/c1-25-18-6-5-7-19-20(18)21(24)16-14-15(8-9-17(16)26-19)10-13-22(23)11-3-2-4-12-22/h5-9,14H,2-4,11-12,23H2,1H3
chemicalCompound:standardIn...	YJXYXHJKCIODHY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc2Oc3ccc(cc3C(=O)c12)C#CC4(N)CCCCC4
chemicalCompound:molecularF...	C22H21NO3
chemicalCompound:moleculeId	937785
chemicalCompound:mwFreebase	347.407
chemicalCompound:alogp	4.358
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	61.55
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.817
chemicalCompound:acdLogD	4.511
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	347.407
chemicalCompound:acdMostBpk...	7.41
chemicalCompound:chemblId	CHEMBL1513901
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1037785
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:3841927, activity:3851011, activity:4114187, activity:4262035, activity:4486956, activity:4570901, activity:4669881, activity:4737067, activity:4924039, activity:4971651, activity:5667311, activity:5726209, activity:5907726, activity:6495415, activity:6838767, activity:6869480, activity:6906261, activity:6968459, activity:7093176, activity:7274797, activity:7379442, activity:7563533