261476

Source:http://linkedlifedata.com/resource/chembl/compound/261476

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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/C18H22N4O4/c1-4-8-21-16-14(17(24)22(9-5-2)18(21)25)19-15(20-16)12-7-6-11(26-3)10-13(12)23/h6-7,10,23H,4-5,8-9H2,1-3H3,(H,19,20)
chemicalCompound:standardIn...	RQAXETYXJICKOZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2nc([nH]c2C1=O)c3ccc(OC)cc3O
chemicalCompound:molecularF...	C18H22N4O4
chemicalCompound:moleculeId	261476
chemicalCompound:mwFreebase	358.392
chemicalCompound:alogp	3.105
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	98.76
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.148
chemicalCompound:acdLogP	3.569
chemicalCompound:acdLogD	3.276
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	358.392
chemicalCompound:acdMostBpk...	0.695
chemicalCompound:chemblId	CHEMBL350469
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:361476
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:839096, activity:839097, activity:839098, activity:1071300, activity:1071301, activity:1071302, activity:1071303, activity:1071304, activity:1071305, activity:1271859, activity:1271860, activity:1271861, activity:2292185