745260

Source:http://linkedlifedata.com/resource/chembl/compound/745260

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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/C27H29FN4O4/c1-3-36-26(33)19-7-12-25(32-15-13-31(14-16-32)22-10-8-20(28)9-11-22)24(17-19)30-27(34)29-21-5-4-6-23(18-21)35-2/h4-12,17-18H,3,13-16H2,1-2H3,(H2,29,30,34)
chemicalCompound:standardIn...	FSDRVHRLLRRGQM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1ccc(N2CCN(CC2)c3ccc(F)cc3)c(NC(=O)Nc4cccc(OC)c4)c1
chemicalCompound:molecularF...	C27H29FN4O4
chemicalCompound:moleculeId	745260
chemicalCompound:mwFreebase	492.542
chemicalCompound:alogp	4.707
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	83.14
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.843
chemicalCompound:acdLogP	6.186
chemicalCompound:acdLogD	6.177
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	492.542
chemicalCompound:acdMostBpk...	5.683
chemicalCompound:chemblId	CHEMBL1321376
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:845260
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:3716161, activity:3942954, activity:3948243, activity:3987286, activity:4197284, activity:4415689, activity:4755624, activity:5367591, activity:5797726, activity:5889514, activity:6589601, activity:6750800, activity:6838527, activity:7011546, activity:7056735, activity:7184748, activity:7341419