814312

Source:http://linkedlifedata.com/resource/chembl/compound/814312

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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/C24H22N2O4/c1-24(2,3)14-7-9-15(10-8-14)30-13-20(27)25-19-12-11-18-21-16(19)5-4-6-17(21)22(28)26-23(18)29/h4-12H,13H2,1-3H3,(H,25,27)(H,26,28,29)
chemicalCompound:standardIn...	SQSFCKJPPHEMGL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(OCC(=O)Nc2ccc3C(=O)NC(=O)c4cccc2c34)cc1
chemicalCompound:molecularF...	C24H22N2O4
chemicalCompound:moleculeId	814312
chemicalCompound:mwFreebase	402.442
chemicalCompound:alogp	3.585
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	84.5
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.137
chemicalCompound:acdLogP	3.659
chemicalCompound:acdLogD	3.646
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	402.442
chemicalCompound:chemblId	CHEMBL1390428
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:914312
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:3616224, activity:3665713, activity:3694872, activity:3744584, activity:4181217, activity:4261465, activity:4964213, activity:4982187, activity:5370820, activity:5447973, activity:5963746, activity:6450276, activity:6521299, activity:6805745, activity:6865848, activity:7017339, activity:7062554, activity:7129982, activity:7248901, activity:7260311, activity:7365388, activity:7437077, activity:8300573, activity:9705520, activity:10552124