477649

Source:http://linkedlifedata.com/resource/chembl/compound/477649

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C15H22O10/c1-6(16)22-11-10(20)12(23-7(2)17)14(24-8(3)18)15(13(11)21-5)25-9(4)19/h10-15,20H,1-5H3/t10-,11+,12+,13-,14+,15+/m1/s1
chemicalCompound:standardIn...	NMRAVNDDIFCZKC-GHRCFYLDSA-N
chemicalCompound:canonicalS...	CO[C@H]1[C@@H](OC(=O)C)[C@H](O)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C
chemicalCompound:molecularF...	C15H22O10
chemicalCompound:moleculeId	477649
chemicalCompound:mwFreebase	362.329
chemicalCompound:alogp	-1.14
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.66
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.404
chemicalCompound:acdLogP	0.962
chemicalCompound:acdLogD	0.962
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	362.329
chemicalCompound:chemblId	CHEMBL455045
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:577649
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:2282980