705900

Source:http://linkedlifedata.com/resource/chembl/compound/705900

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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:705900_AL-8810_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H33FO3/c1-17(27)8-4-2-3-5-11-22-21(23(26)16-25(22)29)12-13-24(28)20-14-18-9-6-7-10-19(18)15-20/h3,5-7,9-10,12-13,20-25,27-29H,1-2,4,8,11,14-16H2/b5-3-,13-12+/t21-,22-,23+,24+,25+/m1/s1
chemicalCompound:standardIn...	QJCAKHFDAQXFOK-KRURDVEGSA-N
chemicalCompound:canonicalS...	O[C@@H](\C=C\[C@H]1[C@@H](F)C[C@H](O)[C@@H]1C\C=C/CCCC(=C)O)C2Cc3ccccc3C2
chemicalCompound:molecularF...	C25H33FO3
chemicalCompound:moleculeId	705900
chemicalCompound:mwFreebase	400.526
chemicalCompound:alogp	4.691
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	60.69
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.969
chemicalCompound:acdLogP	5.157
chemicalCompound:acdLogD	5.157
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	400.526
chemicalCompound:chemblId	CHEMBL1255587
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:805900
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:3491221