443520

Source:http://linkedlifedata.com/resource/chembl/compound/443520

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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:443520_PENIFULVIN B_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12-,13-,14-,15-/m0/s1
chemicalCompound:standardIn...	JDYIPAACNVDCTH-FBDMWJDESA-N
chemicalCompound:canonicalS...	C[C@@]1(CO)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]234
chemicalCompound:molecularF...	C15H20O5
chemicalCompound:moleculeId	443520
chemicalCompound:mwFreebase	280.316
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	72.83
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	-0.551
chemicalCompound:acdLogD	-0.551
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	280.316
chemicalCompound:chemblId	CHEMBL511779
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:543520
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	PENIFULVIN B
chemicalCompound:activity	activity:2539031, activity:2539032, activity:2539033, activity:2539034, activity:2539035