441579

Source:http://linkedlifedata.com/resource/chembl/compound/441579

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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:441579_BMS-512148_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
chemicalCompound:standardIn...	JVHXJTBJCFBINQ-ADAARDCZSA-N
chemicalCompound:canonicalS...	CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1
chemicalCompound:molecularF...	C21H25ClO6
chemicalCompound:moleculeId	441579
chemicalCompound:mwFreebase	408.873
chemicalCompound:alogp	2.409
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	99.38
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.234
chemicalCompound:acdLogP	2.09
chemicalCompound:acdLogD	2.09
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	408.873
chemicalCompound:chemblId	CHEMBL429910
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:541579
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	DAPAGLIFLOZIN
chemicalCompound:activity	activity:2109157, activity:2109161, activity:2109165, activity:2109166, activity:2109167, activity:2109168, activity:2109169, activity:2109170, activity:2109171, activity:2109172, activity:2109173, activity:2109174, activity:2109175, activity:2109176, activity:2109177, activity:2109178, activity:2109179, activity:2109180, activity:2109181, activity:2109182, activity:2109183, activity:2109184, activity:2109185, activity:2109189, activity:2274629, activity:2274637, activity:2274643, activity:2274644, activity:2274645, activity:2274646, activity:2274647, activity:2274648, activity:2274649, activity:2274650, activity:2274651, activity:2274652, activity:2274653, activity:2274654, activity:2274655, activity:2274656, activity:2274657, activity:2274658, activity:2274670, activity:2274671, activity:2274672, activity:2274673, activity:2274674, activity:2274675, activity:2274676, activity:2274677, activity:2274678, activity:2274679, activity:2274680, activity:2274681, activity:2274682, activity:2274683, activity:2274684, activity:2274685, activity:2274686, activity:2274687, activity:2274688, activity:2274689, activity:2274690, activity:2274691, activity:2274692