795913

Source:http://linkedlifedata.com/resource/chembl/compound/795913

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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/C18H19ClN4O6/c19-12-5-3-11(4-6-12)14(22-17(20)26)8-16(25)29-10-15(24)23-18(27)21-9-13-2-1-7-28-13/h1-7,14H,8-10H2,(H3,20,22,26)(H2,21,23,24,27)
chemicalCompound:standardIn...	AIJAZCNRIKUYFU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)NC(CC(=O)OCC(=O)NC(=O)NCc1occc1)c2ccc(Cl)cc2
chemicalCompound:molecularF...	C18H19ClN4O6
chemicalCompound:moleculeId	795913
chemicalCompound:mwFreebase	422.82
chemicalCompound:alogp	1
chemicalCompound:hba	5
chemicalCompound:hbd	4
chemicalCompound:psa	152.76
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.249
chemicalCompound:acdLogP	1.544
chemicalCompound:acdLogD	1.544
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.82
chemicalCompound:chemblId	CHEMBL1372029
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:895913
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:3615544, activity:4523985, activity:5625958, activity:5948610, activity:6529562, activity:6953123, activity:6981741