802101

Source:http://linkedlifedata.com/resource/chembl/compound/802101

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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/C27H28N2O6/c1-32-20-11-9-17(10-12-20)22(29-16-18-7-5-6-8-21(18)27(29)31)15-25(30)28-19-13-23(33-2)26(35-4)24(14-19)34-3/h5-14,22H,15-16H2,1-4H3,(H,28,30)
chemicalCompound:standardIn...	XUKNWGMKNBOFRQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)C(CC(=O)Nc2cc(OC)c(OC)c(OC)c2)N3Cc4ccccc4C3=O
chemicalCompound:molecularF...	C27H28N2O6
chemicalCompound:moleculeId	802101
chemicalCompound:mwFreebase	476.521
chemicalCompound:alogp	3.428
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	86.33
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.818
chemicalCompound:acdLogP	2.793
chemicalCompound:acdLogD	2.793
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	476.521
chemicalCompound:acdMostBpk...	0.775
chemicalCompound:chemblId	CHEMBL1378217
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:902101
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:3959360, activity:4005347, activity:10608359