445764

Source:http://linkedlifedata.com/resource/chembl/compound/445764

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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/C20H20O4/c1-12(2)3-4-14-9-16-18(23)11-19(24-20(16)10-17(14)22)13-5-7-15(21)8-6-13/h3,5-10,19,21-22H,4,11H2,1-2H3/t19-/m0/s1
chemicalCompound:standardIn...	OAUREGNZECGNQS-IBGZPJMESA-N
chemicalCompound:canonicalS...	CC(=CCc1cc2C(=O)C[C@H](Oc2cc1O)c3ccc(O)cc3)C
chemicalCompound:molecularF...	C20H20O4
chemicalCompound:moleculeId	445764
chemicalCompound:mwFreebase	324.37
chemicalCompound:alogp	4.472
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	66.76
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.267
chemicalCompound:acdLogP	3.857
chemicalCompound:acdLogD	3.8
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	324.37
chemicalCompound:chemblId	CHEMBL469444
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:545764
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	BAVACHIN
chemicalCompound:activity	activity:2176261, activity:2176271, activity:2176278, activity:2176292, activity:2176298, activity:2176308, activity:2176314, activity:2176324, activity:2176330, activity:2176340, activity:2176346, activity:2201693, activity:2317017, activity:2317018, activity:2317019, activity:2662304, activity:2662651, activity:2668358, activity:2668404