504393

Source:http://linkedlifedata.com/resource/chembl/compound/504393

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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/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-28(54-31(49)11-3-16(37)24(44)17(38)4-11)27(47)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27+,28-,29-,34+/m1/s1
chemicalCompound:standardIn...	YXZYFHXWEOAXLF-UGAZNADUSA-N
chemicalCompound:canonicalS...	O[C@H]1[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](COC(=O)c3cc(O)c(O)c(O)c3)O[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H]1OC(=O)c5cc(O)c(O)c(O)c5
chemicalCompound:molecularF...	C34H28O22
chemicalCompound:moleculeId	504393
chemicalCompound:mwFreebase	788.573
chemicalCompound:alogp	2.756
chemicalCompound:hba	22
chemicalCompound:hbd	13
chemicalCompound:psa	377.42
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.368
chemicalCompound:acdLogP	2.02
chemicalCompound:acdLogD	1.996
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	788.573
chemicalCompound:chemblId	CHEMBL449495
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:604393
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:2335499