837797

Source:http://linkedlifedata.com/resource/chembl/compound/837797

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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/C24H29N3O4/c1-4-12-25-24(30)18-13-23(29)27(14-18)19-8-10-20(11-9-19)31-15-22(28)26-21-7-5-6-16(2)17(21)3/h5-11,18H,4,12-15H2,1-3H3,(H,25,30)(H,26,28)
chemicalCompound:standardIn...	FPUQZDSQUDAZFV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCNC(=O)C1CN(C(=O)C1)c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2
chemicalCompound:molecularF...	C24H29N3O4
chemicalCompound:moleculeId	837797
chemicalCompound:mwFreebase	423.505
chemicalCompound:alogp	2.774
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	87.74
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.381
chemicalCompound:acdLogP	2.551
chemicalCompound:acdLogD	2.551
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.505
chemicalCompound:acdMostBpk...	1.2
chemicalCompound:chemblId	CHEMBL1413913
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:937797
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:4640619, activity:4786750, activity:6630260, activity:6838781