853

Source:http://linkedlifedata.com/resource/chembl/compound/853

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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:853_4-HPR_OTHER, synonym:853_Fenretinide_INN
chemicalCompound:standardIn...	InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+
chemicalCompound:standardIn...	AKJHMTWEGVYYSE-FXILSDISSA-N
chemicalCompound:canonicalS...	C\C(=C/C=C/C(=C/C(=O)Nc1ccc(O)cc1)/C)\C=C\C2=C(C)CCCC2(C)C
chemicalCompound:molecularF...	C26H33NO2
chemicalCompound:moleculeId	853
chemicalCompound:mwFreebase	391.546
chemicalCompound:alogp	6.463
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	49.33
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	9.984
chemicalCompound:acdLogP	5.884
chemicalCompound:acdLogD	5.883
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	391.546
chemicalCompound:acdMostBpk...	1.547
chemicalCompound:chemblId	CHEMBL7301
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100853
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	FENRETINIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:42588
chemicalCompound:activity	activity:75522, activity:75523, activity:75524, activity:75525, activity:75526, activity:75527, activity:492071, activity:492072, activity:633113, activity:633114, activity:633115, activity:633116, activity:633117, activity:633118, activity:1017385, activity:1017386, activity:1058653, activity:1058654, activity:1058655, activity:1058656, activity:1058657, activity:1058658, activity:1076035, activity:1842263, activity:1842326, activity:1842336, activity:1842341, activity:1842346, activity:1842371, activity:1842381, activity:1842391, activity:1842410, activity:1842411, activity:1857855, activity:1857861, activity:1857871, activity:1857878, activity:1857896, activity:2014948, activity:2444611, activity:2444624, activity:2451589, activity:2451596, activity:2451597, activity:2451598, activity:2478494, activity:2989055, activity:2989056, activity:2989058, activity:2989064, activity:2989065, activity:2989073, activity:2989077, activity:2989079, activity:3473505, activity:3473506, activity:3473507, activity:3473508, activity:3473509, activity:3481354, activity:3481395, activity:3481421