950255

Source:http://linkedlifedata.com/resource/chembl/compound/950255

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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/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22?,23?,24?,25?,27?/m0/s1
chemicalCompound:standardIn...	XOJVHLIYNSOZOO-RVDKUWPISA-N
chemicalCompound:canonicalS...	COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc3ccc(OC4OC(CO)C(O)C(O)C4O)c(OC)c3)cc1OC
chemicalCompound:molecularF...	C27H34O11
chemicalCompound:moleculeId	950255
chemicalCompound:mwFreebase	534.552
chemicalCompound:alogp	1.814
chemicalCompound:hba	11
chemicalCompound:hbd	4
chemicalCompound:psa	153.37
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.828
chemicalCompound:acdLogP	-0.564
chemicalCompound:acdLogD	-0.564
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	534.552
chemicalCompound:chemblId	CHEMBL1526371
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1050255
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:3627279, activity:3873588, activity:4813959, activity:6654840, activity:8278648, activity:10306658, activity:10608131