942879

Source:http://linkedlifedata.com/resource/chembl/compound/942879

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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/C28H26N2O4/c1-20-17-27(31)34-26-18-24(11-12-25(20)26)33-19-21-7-9-22(10-8-21)28(32)30-15-13-29(14-16-30)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3
chemicalCompound:standardIn...	YYTKXZLYGGYZRM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=CC(=O)Oc2cc(OCc3ccc(cc3)C(=O)N4CCN(CC4)c5ccccc5)ccc12
chemicalCompound:molecularF...	C28H26N2O4
chemicalCompound:moleculeId	942879
chemicalCompound:mwFreebase	454.517
chemicalCompound:alogp	4.956
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	59.08
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.718
chemicalCompound:acdLogD	3.718
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	454.517
chemicalCompound:acdMostBpk...	2.95
chemicalCompound:chemblId	CHEMBL1518995
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1042879
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:3650539, activity:4018715, activity:4023096, activity:4147405, activity:4213450, activity:4436929, activity:4581739, activity:4612967, activity:4788162, activity:4886660, activity:4997177, activity:5045908, activity:5429730, activity:5879361, activity:6527720, activity:6850747, activity:6905730, activity:7129305, activity:7557556