186961

Source:http://linkedlifedata.com/resource/chembl/compound/186961

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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/C26H32O5/c1-15(27)26-22(30-23(31-26)21-5-4-12-29-21)14-20-18-7-6-16-13-17(28)8-10-24(16,2)19(18)9-11-25(20,26)3/h4-5,12-13,18-20,22-23H,6-11,14H2,1-3H3/t18?,19?,20?,22-,23?,24+,25+,26-/m1/s1
chemicalCompound:standardIn...	KFWQVULWJVNYFA-ARGFHZOMSA-N
chemicalCompound:canonicalS...	CC(=O)[C@@]12OC(O[C@@H]1CC3C4CCC5=CC(=O)CC[C@]5(C)C4CC[C@]23C)c6occc6
chemicalCompound:molecularF...	C26 H32 O5
chemicalCompound:moleculeId	186961
chemicalCompound:mwFreebase	424.529
chemicalCompound:alogp	3.977
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	65.74
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.554
chemicalCompound:acdLogD	4.554
chemicalCompound:fullMwt	424.529
chemicalCompound:chemblId	CHEMBL112306
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:286961
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:1272280, activity:1272281, activity:1272282, activity:1272283, activity:1305481, activity:1305482, activity:1305483, activity:1305484