201834

Source:http://linkedlifedata.com/resource/chembl/compound/201834

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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/C23H21N5O6/c1-3-33-22(31)16-10-5-8-14(24-16)20(29)27-18-12-7-13-19(26-18)28-21(30)15-9-6-11-17(25-15)23(32)34-4-2/h5-13H,3-4H2,1-2H3,(H2,26,27,28,29,30)
chemicalCompound:standardIn...	BAVAMMIFHPLYAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)c1cccc(n1)C(=O)Nc2cccc(NC(=O)c3cccc(n3)C(=O)OCC)n2
chemicalCompound:molecularF...	C23 H21 N5 O6
chemicalCompound:moleculeId	201834
chemicalCompound:mwFreebase	463.443
chemicalCompound:alogp	3.148
chemicalCompound:hba	9
chemicalCompound:hbd	2
chemicalCompound:psa	149.46
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.379
chemicalCompound:acdLogP	4.895
chemicalCompound:acdLogD	4.895
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	463.443
chemicalCompound:acdMostBpk...	0.294
chemicalCompound:chemblId	CHEMBL123327
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:301834
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:420052