4193

Source:http://linkedlifedata.com/resource/chembl/compound/4193

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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:4193_Etretinate_BAN, synonym:4193_Etretinate_FDA_ALTERNATIVE_NAME, synonym:4193_Etretinate_INN, synonym:4193_Etretinate_JAN, synonym:4193_Etretinate_USAN, synonym:4193_Ro-10-9359_RESEARCH_CODE, synonym:4193_Tegison_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C23H30O3/c1-8-26-23(24)14-17(3)11-9-10-16(2)12-13-21-18(4)15-22(25-7)20(6)19(21)5/h9-15H,8H2,1-7H3/b11-9+,13-12+,16-10+,17-14+
chemicalCompound:standardIn...	HQMNCQVAMBCHCO-DJRRULDNSA-N
chemicalCompound:canonicalS...	CCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\c1c(C)cc(OC)c(C)c1C
chemicalCompound:molecularF...	C23H30O3
chemicalCompound:moleculeId	4193
chemicalCompound:mwFreebase	354.482
chemicalCompound:alogp	6.24
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	35.53
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	7.152
chemicalCompound:acdLogD	7.152
chemicalCompound:fullMwt	354.482
chemicalCompound:chemblId	CHEMBL464
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:104193
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	ETRETINATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:4913
chemicalCompound:firstAppro...	1986
chemicalCompound:activity	activity:283387, activity:283388, activity:283389, activity:283390, activity:283391, activity:398311, activity:398312, activity:398313, activity:471840, activity:471841, activity:471842, activity:2176128, activity:5317373, activity:5318324, activity:5319275, activity:5322664, activity:5322665, activity:5322666, activity:5322667, activity:5322668, activity:5322669, activity:5322670, activity:5322671, activity:5322672, activity:5322673, activity:5322674, activity:5322675, activity:5322676, activity:5322677, activity:5322678, activity:5322679, activity:5322680, activity:5322681, activity:5328898, activity:6521402, activity:7130076, activity:7549882, activity:9342558