182855

Source:http://linkedlifedata.com/resource/chembl/compound/182855

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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/C30H20N2O7/c1-37-24-6-4-3-5-19(24)16-8-11-25-22(14-16)31-27(39-25)17-9-12-26(38-2)23(15-17)32-28(33)20-10-7-18(30(35)36)13-21(20)29(32)34/h3-15H,1-2H3,(H,35,36)
chemicalCompound:standardIn...	ZFJHZUAZBGPPQK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1N2C(=O)c3ccc(cc3C2=O)C(=O)O)c4oc5ccc(cc5n4)c6ccccc6OC
chemicalCompound:molecularF...	C30H20N2O7
chemicalCompound:moleculeId	182855
chemicalCompound:mwFreebase	520.489
chemicalCompound:alogp	5.005
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	119.17
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.309
chemicalCompound:acdLogP	4.765
chemicalCompound:acdLogD	1.662
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	520.489
chemicalCompound:acdMostBpk...	1.155
chemicalCompound:chemblId	CHEMBL109600
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:282855
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:31866, activity:31867, activity:2224303