858257

Source:http://linkedlifedata.com/resource/chembl/compound/858257

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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/C28H27N3O5/c1-34-19-8-6-7-18(16-19)27-24-25(20-9-4-5-10-21(20)32)29-30-26(24)28(33)31(27)14-13-17-11-12-22(35-2)23(15-17)36-3/h4-12,15-16,27,32H,13-14H2,1-3H3,(H,29,30)
chemicalCompound:standardIn...	KVSTYEGYDKMTBY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C2N(CCc3ccc(OC)c(OC)c3)C(=O)c4[nH]nc(c5ccccc5O)c24
chemicalCompound:molecularF...	C28H27N3O5
chemicalCompound:moleculeId	858257
chemicalCompound:mwFreebase	485.531
chemicalCompound:alogp	4.905
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.91
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.624
chemicalCompound:acdLogP	4.4
chemicalCompound:acdLogD	4.364
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	485.531
chemicalCompound:acdMostBpk...	0.181
chemicalCompound:chemblId	CHEMBL1434373
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:958257
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:3948969, activity:4516660, activity:4655418, activity:4842056, activity:5358053, activity:5424802, activity:5791435, activity:6979248, activity:7267082, activity:7314140, activity:7454607, activity:9351419, activity:10642796