1278806

Source:http://linkedlifedata.com/resource/chembl/compound/1278806

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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/C27H28F2N4O4/c1-27(16-36-22-6-3-18(4-7-22)26(30)31)15-32(2)23-12-21(5-8-24(23)37-27)33(14-25(34)35)13-17-9-19(28)11-20(29)10-17/h3-12H,13-16H2,1-2H3,(H3,30,31)(H,34,35)
chemicalCompound:standardIn...	JJCBUVHDWHZUID-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CC(C)(COc2ccc(cc2)C(=N)N)Oc3ccc(cc13)N(CC(=O)O)Cc4cc(F)cc(F)c4
chemicalCompound:molecularF...	C27H28F2N4O4
chemicalCompound:moleculeId	1278806
chemicalCompound:mwFreebase	510.532
chemicalCompound:alogp	4.355
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	112.11
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.576
chemicalCompound:acdLogP	3.988
chemicalCompound:acdLogD	1.484
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	510.532
chemicalCompound:acdMostBpk...	12.048
chemicalCompound:chemblId	CHEMBL1949835
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1378806
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:8040621, activity:8040660, activity:8040698, activity:8040736, activity:8040775