420100

Source:http://linkedlifedata.com/resource/chembl/compound/420100

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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/C23H26O9/c1-9-17(26)10(2)21-16-14(7-13(29-20(9)16)11-3-5-12(25)6-4-11)30-22-19(28)18(27)15(8-24)31-23(22)32-21/h3-6,13-15,18-19,22-28H,7-8H2,1-2H3/t13-,14+,15+,18+,19-,22+,23-/m0/s1
chemicalCompound:standardIn...	IAQOOCVBIITHOV-UWKTVYOHSA-N
chemicalCompound:canonicalS...	Cc1c(O)c(C)c2O[C@@H](C[C@H]3O[C@H]4[C@@H](O[C@H](CO)[C@@H](O)[C@@H]4O)Oc1c23)c5ccc(O)cc5
chemicalCompound:molecularF...	C23 H26 O9
chemicalCompound:moleculeId	420100
chemicalCompound:mwFreebase	446.447
chemicalCompound:alogp	1.814
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	138.07
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.725
chemicalCompound:acdLogP	2.063
chemicalCompound:acdLogD	2.059
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	446.447
chemicalCompound:chemblId	CHEMBL403121
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:520100
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	ABACOPTERIN F
chemicalCompound:activity	activity:2060712