1286151

Source:http://linkedlifedata.com/resource/chembl/compound/1286151

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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/c1-3-26-20-12-10-19(11-13-20)23-15-18-9-8-17(22(18)24)14-16-6-4-5-7-21(16)25-2/h4-7,10-14,18,23H,3,8-9,15H2,1-2H3/b17-14+
chemicalCompound:standardIn...	JFBYNRPGOFKHKP-SAPNQHFASA-N
chemicalCompound:canonicalS...	CCOc1ccc(NCC2CC\C(=C/c3ccccc3OC)\C2=O)cc1
chemicalCompound:molecularF...	C22H25NO3
chemicalCompound:moleculeId	1286151
chemicalCompound:mwFreebase	351.439
chemicalCompound:alogp	4.454
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	47.56
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.429
chemicalCompound:acdLogD	3.427
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	351.439
chemicalCompound:acdMostBpk...	4.85
chemicalCompound:chemblId	CHEMBL1964860
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1386151
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:8271799, activity:8325772, activity:8341056, activity:8384769, activity:8422026, activity:8466339, activity:8531027, activity:8550944, activity:8594308, activity:8627560, activity:8708286, activity:8725994, activity:8794672, activity:8827283, activity:8878990, activity:8929958, activity:8969260, activity:8997440, activity:9029022, activity:9123476, activity:9154696, activity:9214912, activity:9243357, activity:9262905, activity:9312014, activity:9319674, activity:9323228, activity:9392834, activity:9465130, activity:9476329, activity:9634951, activity:9649387, activity:9732064, activity:9738058, activity:9821390, activity:9847601, activity:9889028, activity:9919204, activity:9947587, activity:10088030, activity:10091372, activity:10106627, activity:10205548, activity:10243404, activity:10278378, activity:10394310, activity:10443806, activity:10463775, activity:10492835, activity:10520039, activity:10548388, activity:10554960, activity:10628129, activity:10647387, activity:10680401, activity:10730855, activity:10749330, activity:10817667