497955

Source:http://linkedlifedata.com/resource/chembl/compound/497955

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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:497955_Sordarin_OTHER
chemicalCompound:standardIn...	InChI=1S/C27H40O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h8,11,13-18,20-23,29-30H,6-7,9-10,12H2,1-5H3,(H,31,32)/t14-,15-,16?,17-,18-,20+,21+,22-,23-,25+,26+,27+/m1/s1
chemicalCompound:standardIn...	OGGVRVMISBQNMQ-UQYLMRGISA-N
chemicalCompound:canonicalS...	CO[C@@H]1[C@@H](C)O[C@@H](OC[C@@]23C[C@@H]4[C@H](C)CC[C@H]4[C@]5(CC2C=C(C(C)C)[C@@]35C(=O)O)C=O)[C@@H](O)[C@@H]1O
chemicalCompound:molecularF...	C27H40O8
chemicalCompound:moleculeId	497955
chemicalCompound:mwFreebase	492.602
chemicalCompound:alogp	1.937
chemicalCompound:hba	8
chemicalCompound:hbd	3
chemicalCompound:psa	122.52
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.853
chemicalCompound:acdLogP	1.15
chemicalCompound:acdLogD	-2.186
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	492.602
chemicalCompound:chemblId	CHEMBL476273
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597955
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	SORDARIN
chemicalCompound:activity	activity:245117, activity:245118, activity:245119, activity:245120, activity:624192, activity:624193, activity:624194, activity:1013135, activity:1189701, activity:1189702, activity:1189703, activity:2409896, activity:2409899, activity:2409902, activity:2409905, activity:2409908, activity:2409911, activity:2409914, activity:2409916, activity:2409918, activity:2409920, activity:2409924, activity:3566401, activity:3566402, activity:3566403, activity:3566404, activity:3566405, activity:3566406, activity:3566407, activity:3566408, activity:3566409, activity:3566410, activity:3566411, activity:3566412, activity:3566413, activity:3566414, activity:3566415, activity:3566416, activity:3566417, activity:3566418, activity:3566419, activity:3566420, activity:3566421, activity:3566422, activity:3566423, activity:3566424, activity:3566425, activity:3566426, activity:3566427, activity:3566428, activity:3566429, activity:3566430, activity:3566431, activity:3566432, activity:3566433, activity:3566434, activity:3566435, activity:3566436, activity:3566437, activity:3566438, activity:3566439, activity:3566440, activity:3566441, activity:3566442, activity:3566443