435256

Source:http://linkedlifedata.com/resource/chembl/compound/435256

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:435256_RETROFRACTAMIDE C_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C20H27NO3/c1-16(2)14-21-20(22)10-8-6-4-3-5-7-9-17-11-12-18-19(13-17)24-15-23-18/h7-13,16H,3-6,14-15H2,1-2H3,(H,21,22)/b9-7+,10-8+
chemicalCompound:standardIn...	PAXQNYHJDFKFEU-FIFLTTCUSA-N
chemicalCompound:canonicalS...	CC(C)CNC(=O)\C=C\CCCC\C=C\c1ccc2OCOc2c1
chemicalCompound:molecularF...	C20H27NO3
chemicalCompound:moleculeId	435256
chemicalCompound:mwFreebase	329.433
chemicalCompound:alogp	4.758
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	47.56
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.42
chemicalCompound:acdLogD	5.42
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.433
chemicalCompound:chemblId	CHEMBL271630
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:535256
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	RETROFRACTAMIDE C
chemicalCompound:activity	activity:2114432, activity:2114445, activity:2114467, activity:2114489, activity:2244710, activity:2244718, activity:2244726, activity:2244734, activity:2244740, activity:2244750, activity:2244758, activity:2340941, activity:2340963, activity:2340984, activity:2341007, activity:3061595, activity:3061612, activity:3061649, activity:3061655, activity:3061670, activity:3061727, activity:3062859, activity:3062891