254139

Source:http://linkedlifedata.com/resource/chembl/compound/254139

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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/C21H22N4O4/c1-24(17-7-4-14(5-8-17)20(22)23)21(29)15-3-2-13-6-9-18(26)25(12-19(27)28)11-16(13)10-15/h2-5,7-8,10H,6,9,11-12H2,1H3,(H3,22,23)(H,27,28)
chemicalCompound:standardIn...	HZETWVPJEXIPLV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C(=O)c1ccc2CCC(=O)N(CC(=O)O)Cc2c1)c3ccc(cc3)C(=N)N
chemicalCompound:molecularF...	C21 H22 N4 O4
chemicalCompound:moleculeId	254139
chemicalCompound:mwFreebase	394.424
chemicalCompound:alogp	1.017
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	127.79
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.718
chemicalCompound:acdLogP	2.499
chemicalCompound:acdLogD	0
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	394.424
chemicalCompound:acdMostBpk...	11.889
chemicalCompound:chemblId	CHEMBL358645
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:354139
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:1089123, activity:1089124